smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164650499 719315721 /nfs/dbraw/zinc/31/57/21/719315721.db2.gz FQRAELISOHSJEL-UHFFFAOYSA-N 1 1 418.567 1.924 20 0 HDADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)nc2N1C1CCCC1 ZINC001164667658 719393682 /nfs/dbraw/zinc/39/36/82/719393682.db2.gz OJQBKBHHYYYXSL-NJAFHUGGSA-N 1 1 400.527 1.500 20 0 HDADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC001164672361 719422171 /nfs/dbraw/zinc/42/21/71/719422171.db2.gz QXKUGCXELGCZBN-QZTJIDSGSA-N 1 1 418.519 1.800 20 0 HDADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001164672361 719422174 /nfs/dbraw/zinc/42/21/74/719422174.db2.gz QXKUGCXELGCZBN-QZTJIDSGSA-N 1 1 418.519 1.800 20 0 HDADMO Cn1ncc2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C[C@@H]2COc1cccnc1 ZINC001164686193 719599765 /nfs/dbraw/zinc/59/97/65/719599765.db2.gz OHCOVAAFHWUAKG-QGZVFWFLSA-N 1 1 420.521 1.540 20 0 HDADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164692018 719754521 /nfs/dbraw/zinc/75/45/21/719754521.db2.gz QXFIWOXZOUGAJS-ZDUSSCGKSA-N 1 1 409.918 1.587 20 0 HDADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164690127 719754823 /nfs/dbraw/zinc/75/48/23/719754823.db2.gz UCNCYEWQGKTPJG-CQSZACIVSA-N 1 1 409.918 1.479 20 0 HDADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164689827 719756681 /nfs/dbraw/zinc/75/66/81/719756681.db2.gz KUAMUAFFLCRYIW-UHFFFAOYSA-N 1 1 403.861 1.864 20 0 HDADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1-c1nc(C)no1 ZINC001164702879 719869352 /nfs/dbraw/zinc/86/93/52/719869352.db2.gz JFZAORBSBYFTCY-QRWLVFNGSA-N 1 1 401.467 1.673 20 0 HDADMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164705728 719871636 /nfs/dbraw/zinc/87/16/36/719871636.db2.gz OCWRWKKGYPETHG-UGKGYDQZSA-N 1 1 402.539 1.909 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697043 719894987 /nfs/dbraw/zinc/89/49/87/719894987.db2.gz IZAKFIVWHYCTEB-UHFFFAOYSA-N 1 1 422.576 1.923 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697043 719894989 /nfs/dbraw/zinc/89/49/89/719894989.db2.gz IZAKFIVWHYCTEB-UHFFFAOYSA-N 1 1 422.576 1.923 20 0 HDADMO C[N@@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164703623 719922329 /nfs/dbraw/zinc/92/23/29/719922329.db2.gz LCJHFDXKKPOFQP-YZGWKJHDSA-N 1 1 400.523 1.929 20 0 HDADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(SCC(=O)OC)n1)C2 ZINC001164817866 720180669 /nfs/dbraw/zinc/18/06/69/720180669.db2.gz QPWWGLUMTDCOHO-OXQOHEQNSA-N 1 1 406.552 1.926 20 0 HDADMO CCOC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1C ZINC001164717226 720210903 /nfs/dbraw/zinc/21/09/03/720210903.db2.gz GVYFCTDOVSMRRP-NRFANRHFSA-N 1 1 404.511 1.232 20 0 HDADMO CCOC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1C ZINC001164717226 720210909 /nfs/dbraw/zinc/21/09/09/720210909.db2.gz GVYFCTDOVSMRRP-NRFANRHFSA-N 1 1 404.511 1.232 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1 ZINC001164720038 720211139 /nfs/dbraw/zinc/21/11/39/720211139.db2.gz VICJGXIVRLVMFA-NRFANRHFSA-N 1 1 402.543 1.132 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1 ZINC001164720038 720211159 /nfs/dbraw/zinc/21/11/59/720211159.db2.gz VICJGXIVRLVMFA-NRFANRHFSA-N 1 1 402.543 1.132 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1 ZINC001164716025 720221293 /nfs/dbraw/zinc/22/12/93/720221293.db2.gz ABLRJVODTHHURH-FQEVSTJZSA-N 1 1 403.552 1.973 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1 ZINC001164716025 720221303 /nfs/dbraw/zinc/22/13/03/720221303.db2.gz ABLRJVODTHHURH-FQEVSTJZSA-N 1 1 403.552 1.973 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1 ZINC001164716891 720222970 /nfs/dbraw/zinc/22/29/70/720222970.db2.gz GGNDUMWVPHEGIE-LJQANCHMSA-N 1 1 404.902 1.343 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1 ZINC001164716891 720222980 /nfs/dbraw/zinc/22/29/80/720222980.db2.gz GGNDUMWVPHEGIE-LJQANCHMSA-N 1 1 404.902 1.343 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164717242 720224916 /nfs/dbraw/zinc/22/49/16/720224916.db2.gz HFMYPKUPXQOVEV-IBGZPJMESA-N 1 1 410.902 1.186 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164717242 720224920 /nfs/dbraw/zinc/22/49/20/720224920.db2.gz HFMYPKUPXQOVEV-IBGZPJMESA-N 1 1 410.902 1.186 20 0 HDADMO CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1 ZINC001164720473 720255776 /nfs/dbraw/zinc/25/57/76/720255776.db2.gz WXFLQDVTMHAQCG-QFIPXVFZSA-N 1 1 413.522 1.693 20 0 HDADMO CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1 ZINC001164720473 720255790 /nfs/dbraw/zinc/25/57/90/720255790.db2.gz WXFLQDVTMHAQCG-QFIPXVFZSA-N 1 1 413.522 1.693 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164718988 720255850 /nfs/dbraw/zinc/25/58/50/720255850.db2.gz JYXYJMSTMYSWHF-FQEVSTJZSA-N 1 1 403.914 1.948 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164718988 720255860 /nfs/dbraw/zinc/25/58/60/720255860.db2.gz JYXYJMSTMYSWHF-FQEVSTJZSA-N 1 1 403.914 1.948 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1 ZINC001164720655 720269266 /nfs/dbraw/zinc/26/92/66/720269266.db2.gz BURLAXHBVRZGHD-NRFANRHFSA-N 1 1 402.543 1.132 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1 ZINC001164720655 720269271 /nfs/dbraw/zinc/26/92/71/720269271.db2.gz BURLAXHBVRZGHD-NRFANRHFSA-N 1 1 402.543 1.132 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1 ZINC001164721932 720270584 /nfs/dbraw/zinc/27/05/84/720270584.db2.gz NCDHCNCQVDDHCJ-SFHVURJKSA-N 1 1 422.580 1.473 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1 ZINC001164721932 720270597 /nfs/dbraw/zinc/27/05/97/720270597.db2.gz NCDHCNCQVDDHCJ-SFHVURJKSA-N 1 1 422.580 1.473 20 0 HDADMO CCCN(CCC)c1cncc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164720958 720270660 /nfs/dbraw/zinc/27/06/60/720270660.db2.gz GBNQTYXDXYTQCQ-JOCHJYFZSA-N 1 1 418.586 1.768 20 0 HDADMO CCCN(CCC)c1cncc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164720958 720270671 /nfs/dbraw/zinc/27/06/71/720270671.db2.gz GBNQTYXDXYTQCQ-JOCHJYFZSA-N 1 1 418.586 1.768 20 0 HDADMO CCc1cc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)[nH]1 ZINC001164722306 720277410 /nfs/dbraw/zinc/27/74/10/720277410.db2.gz PNTRHHFHWZRREN-FQEVSTJZSA-N 1 1 420.945 1.839 20 0 HDADMO CCc1cc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)[nH]1 ZINC001164722306 720277424 /nfs/dbraw/zinc/27/74/24/720277424.db2.gz PNTRHHFHWZRREN-FQEVSTJZSA-N 1 1 420.945 1.839 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1 ZINC001164720934 720282875 /nfs/dbraw/zinc/28/28/75/720282875.db2.gz FQWJVUXAKUQROQ-JOCHJYFZSA-N 1 1 410.522 1.512 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1 ZINC001164720934 720282880 /nfs/dbraw/zinc/28/28/80/720282880.db2.gz FQWJVUXAKUQROQ-JOCHJYFZSA-N 1 1 410.522 1.512 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164722289 720291400 /nfs/dbraw/zinc/29/14/00/720291400.db2.gz PKAMKFHZALAHEF-FQEVSTJZSA-N 1 1 407.946 1.981 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164722289 720291411 /nfs/dbraw/zinc/29/14/11/720291411.db2.gz PKAMKFHZALAHEF-FQEVSTJZSA-N 1 1 407.946 1.981 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(SC)nc(SC)n3)C2)C1 ZINC001164724634 720308722 /nfs/dbraw/zinc/30/87/22/720308722.db2.gz SQLULQGRIRHGEA-GOSISDBHSA-N 1 1 411.597 1.585 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(SC)nc(SC)n3)C2)C1 ZINC001164724634 720308730 /nfs/dbraw/zinc/30/87/30/720308730.db2.gz SQLULQGRIRHGEA-GOSISDBHSA-N 1 1 411.597 1.585 20 0 HDADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164823664 720414809 /nfs/dbraw/zinc/41/48/09/720414809.db2.gz IRASYOSIULPYJY-UHFFFAOYSA-N 1 1 413.526 1.535 20 0 HDADMO CC(C)[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)CC[C@H]21 ZINC001164840719 720549257 /nfs/dbraw/zinc/54/92/57/720549257.db2.gz SQBDZKDQKQWTTP-YWTNHNAXSA-N 1 1 424.553 1.828 20 0 HDADMO CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164842857 720602462 /nfs/dbraw/zinc/60/24/62/720602462.db2.gz WBIJUNXNXNJVSQ-ZHALLVOQSA-N 1 1 418.567 1.564 20 0 HDADMO COC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1OC ZINC001164838237 720649539 /nfs/dbraw/zinc/64/95/39/720649539.db2.gz GQLZLPBPBKGLSD-IXDOHACOSA-N 1 1 414.510 1.846 20 0 HDADMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c(OC)c1 ZINC001164738475 720709285 /nfs/dbraw/zinc/70/92/85/720709285.db2.gz JYQPUCBVBUNJOK-GDBMZVCRSA-N 1 1 408.462 1.779 20 0 HDADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740502 720721621 /nfs/dbraw/zinc/72/16/21/720721621.db2.gz QQHVXWFRCPPFDS-ZWKOTPCHSA-N 1 1 418.505 1.737 20 0 HDADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740495 720722093 /nfs/dbraw/zinc/72/20/93/720722093.db2.gz QQHVXWFRCPPFDS-MSOLQXFVSA-N 1 1 418.505 1.737 20 0 HDADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH]c-2n1 ZINC001164746301 720733070 /nfs/dbraw/zinc/73/30/70/720733070.db2.gz XCMFKHARPJNPJW-JKSUJKDBSA-N 1 1 408.462 1.872 20 0 HDADMO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2[nH]1 ZINC001164746301 720733076 /nfs/dbraw/zinc/73/30/76/720733076.db2.gz XCMFKHARPJNPJW-JKSUJKDBSA-N 1 1 408.462 1.872 20 0 HDADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2[nH]1 ZINC001164746301 720733084 /nfs/dbraw/zinc/73/30/84/720733084.db2.gz XCMFKHARPJNPJW-JKSUJKDBSA-N 1 1 408.462 1.872 20 0 HDADMO FC(F)(COc1ccc(Cl)nn1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743419 720762121 /nfs/dbraw/zinc/76/21/21/720762121.db2.gz QAEFMTICOMVKEP-CHWSQXEVSA-N 1 1 412.828 1.729 20 0 HDADMO O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737174 720770589 /nfs/dbraw/zinc/77/05/89/720770589.db2.gz AJETZLHWFADKPD-MOPGFXCFSA-N 1 1 404.474 1.424 20 0 HDADMO O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737175 720771552 /nfs/dbraw/zinc/77/15/52/720771552.db2.gz AJETZLHWFADKPD-OALUTQOASA-N 1 1 404.474 1.424 20 0 HDADMO CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2C1 ZINC001164743516 720801287 /nfs/dbraw/zinc/80/12/87/720801287.db2.gz GHQQVXGXSVAFFO-KGLIPLIRSA-N 1 1 401.902 1.250 20 0 HDADMO NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748684 720813499 /nfs/dbraw/zinc/81/34/99/720813499.db2.gz QXNVUOHROXCNAY-ZMSDIMECSA-N 1 1 415.929 1.805 20 0 HDADMO NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738802 720818725 /nfs/dbraw/zinc/81/87/25/720818725.db2.gz GUMHVZARXNPVPG-IIAWOOMASA-N 1 1 416.917 1.200 20 0 HDADMO NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740184 720822825 /nfs/dbraw/zinc/82/28/25/720822825.db2.gz JKVUFNWQOHUAMM-IIAWOOMASA-N 1 1 416.917 1.200 20 0 HDADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cn1 ZINC001164738794 720826146 /nfs/dbraw/zinc/82/61/46/720826146.db2.gz GSUSEGBFHOXODR-JENIJYKNSA-N 1 1 411.510 1.624 20 0 HDADMO NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745604 720829958 /nfs/dbraw/zinc/82/99/58/720829958.db2.gz XDAGZBKTIINLFY-YQQAZPJKSA-N 1 1 415.929 1.805 20 0 HDADMO Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164743816 720829970 /nfs/dbraw/zinc/82/99/70/720829970.db2.gz SNAFRPGUSLSLCT-XUVXKRRUSA-N 1 1 419.533 1.904 20 0 HDADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@H]2C1 ZINC001164850976 720835547 /nfs/dbraw/zinc/83/55/47/720835547.db2.gz FXVUGXLUBFTSDU-JSGCOSHPSA-N 1 1 418.872 1.552 20 0 HDADMO Clc1[n-][nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncnc1-2 ZINC001164745751 720836504 /nfs/dbraw/zinc/83/65/04/720836504.db2.gz NEKJRCYXVGEYCX-RBSFLKMASA-N 1 1 413.917 1.977 20 0 HDADMO CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741923 720836657 /nfs/dbraw/zinc/83/66/57/720836657.db2.gz FWXVDMKXFZJIHZ-NLWGTHIKSA-N 1 1 409.538 1.802 20 0 HDADMO c1cn(-c2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cn1 ZINC001164747399 720838739 /nfs/dbraw/zinc/83/87/39/720838739.db2.gz QMAGQDVXSMQAPT-GUDVDZBRSA-N 1 1 405.510 1.633 20 0 HDADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746645 720840442 /nfs/dbraw/zinc/84/04/42/720840442.db2.gz PUHXZKMGPQZBQG-QHAWAJNXSA-N 1 1 423.565 1.889 20 0 HDADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746645 720840443 /nfs/dbraw/zinc/84/04/43/720840443.db2.gz PUHXZKMGPQZBQG-QHAWAJNXSA-N 1 1 423.565 1.889 20 0 HDADMO CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739966 720849845 /nfs/dbraw/zinc/84/98/45/720849845.db2.gz BEPSHDGYQKTAIF-JENIJYKNSA-N 1 1 410.526 1.149 20 0 HDADMO O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164750366 720852707 /nfs/dbraw/zinc/85/27/07/720852707.db2.gz PPAFNPOZQNLDKC-ILZDJORESA-N 1 1 422.537 1.340 20 0 HDADMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2c1ccn2C ZINC001164744036 720858560 /nfs/dbraw/zinc/85/85/60/720858560.db2.gz BHEUPBGBMOXCHG-ZIFCJYIRSA-N 1 1 422.537 1.948 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C\C(=O)OC)cc4cc[nH]c43)CC[C@H]2C1 ZINC001164852035 720868678 /nfs/dbraw/zinc/86/86/78/720868678.db2.gz BUUKDWWOAYDXDO-VKCQWTKXSA-N 1 1 414.506 1.923 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)CC[C@@H]2C1 ZINC001164864499 720878762 /nfs/dbraw/zinc/87/87/62/720878762.db2.gz VYLMFTUGRCOYEG-ZIAGYGMSSA-N 1 1 406.861 1.771 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c(OC)cc(OC)cc43)CC[C@@H]2C1 ZINC001164864427 720890026 /nfs/dbraw/zinc/89/00/26/720890026.db2.gz VSKYOAIMXLTFBG-DNVCBOLYSA-N 1 1 402.495 1.821 20 0 HDADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nnc3OC)CC[C@@H]2C1 ZINC001164862885 720890268 /nfs/dbraw/zinc/89/02/68/720890268.db2.gz RSLBDRQRYJYCOU-OCCSQVGLSA-N 1 1 406.861 1.857 20 0 HDADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)cc2C1 ZINC001164858570 720891427 /nfs/dbraw/zinc/89/14/27/720891427.db2.gz LDQCIKSNLKMZJE-UWVAXJGDSA-N 1 1 418.538 1.318 20 0 HDADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]12 ZINC001164758957 721000595 /nfs/dbraw/zinc/00/05/95/721000595.db2.gz XRUOFWGCZYLYLJ-AHRSYUTCSA-N 1 1 417.554 1.667 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760381 721032053 /nfs/dbraw/zinc/03/20/53/721032053.db2.gz CPGORFJPUGIFQP-NZQKXSOJSA-N 1 1 424.549 1.968 20 0 HDADMO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@H+]3C2)c1 ZINC001164867980 721051679 /nfs/dbraw/zinc/05/16/79/721051679.db2.gz LPJWOBLYAXYPKB-VXKWHMMOSA-N 1 1 409.534 1.789 20 0 HDADMO CN1CCOc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164872217 721129959 /nfs/dbraw/zinc/12/99/59/721129959.db2.gz GYEFNIKBJQAPHU-HOTGVXAUSA-N 1 1 416.913 1.833 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876538 721140130 /nfs/dbraw/zinc/14/01/30/721140130.db2.gz NBEPHDWQZBVTPB-ROUUACIJSA-N 1 1 417.535 1.207 20 0 HDADMO COC(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880667 721167169 /nfs/dbraw/zinc/16/71/69/721167169.db2.gz WVFLZYDNJFVJMG-GJZGRUSLSA-N 1 1 403.870 1.791 20 0 HDADMO CCNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867460 721194910 /nfs/dbraw/zinc/19/49/10/721194910.db2.gz GHKJTQPFWLYJMM-HZPDHXFCSA-N 1 1 416.913 1.754 20 0 HDADMO CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164764054 721196527 /nfs/dbraw/zinc/19/65/27/721196527.db2.gz GCXAWGJJEYMPLE-QZTJIDSGSA-N 1 1 418.567 1.460 20 0 HDADMO CNC(=O)[C@]12CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164871360 721207985 /nfs/dbraw/zinc/20/79/85/721207985.db2.gz YRGFRVJSWRKVNN-AUSIDOKSSA-N 1 1 421.549 1.687 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)n2)CC1 ZINC001164879220 721251669 /nfs/dbraw/zinc/25/16/69/721251669.db2.gz WLJDATURJOJYNN-UFYCRDLUSA-N 1 1 410.522 1.829 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(N4CCCCC4)nn3)CC2)C1 ZINC001164872043 721261187 /nfs/dbraw/zinc/26/11/87/721261187.db2.gz CQLLQXQFANKFRJ-UHFFFAOYSA-N 1 1 416.570 1.474 20 0 HDADMO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C)c1 ZINC001164869323 721267882 /nfs/dbraw/zinc/26/78/82/721267882.db2.gz KDITUJLCLWWQIG-UHFFFAOYSA-N 1 1 418.538 1.574 20 0 HDADMO COc1nc(Cl)nc(C)c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868956 721272929 /nfs/dbraw/zinc/27/29/29/721272929.db2.gz HAWFFNYBRSNDDQ-UHFFFAOYSA-N 1 1 411.934 1.454 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccoc43)CC2)C1 ZINC001164874517 721279536 /nfs/dbraw/zinc/27/95/36/721279536.db2.gz TVINOXMOEOSUOX-UHFFFAOYSA-N 1 1 407.902 1.883 20 0 HDADMO COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cn1 ZINC001164777441 721332891 /nfs/dbraw/zinc/33/28/91/721332891.db2.gz NIGZJRXDXFBZRJ-NRFANRHFSA-N 1 1 415.494 1.987 20 0 HDADMO COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cn1 ZINC001164777441 721332894 /nfs/dbraw/zinc/33/28/94/721332894.db2.gz NIGZJRXDXFBZRJ-NRFANRHFSA-N 1 1 415.494 1.987 20 0 HDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C(N)=O)n3)C2)C1 ZINC001164777446 721338605 /nfs/dbraw/zinc/33/86/05/721338605.db2.gz NLIFNJHKLFKUIB-FQEVSTJZSA-N 1 1 400.483 1.299 20 0 HDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C(N)=O)n3)C2)C1 ZINC001164777446 721338612 /nfs/dbraw/zinc/33/86/12/721338612.db2.gz NLIFNJHKLFKUIB-FQEVSTJZSA-N 1 1 400.483 1.299 20 0 HDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(-n4cncn4)n3)C2)C1 ZINC001164785304 721368592 /nfs/dbraw/zinc/36/85/92/721368592.db2.gz UIANYPBUAGZHBL-OAQYLSRUSA-N 1 1 424.509 1.781 20 0 HDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(-n4cncn4)n3)C2)C1 ZINC001164785304 721368594 /nfs/dbraw/zinc/36/85/94/721368594.db2.gz UIANYPBUAGZHBL-OAQYLSRUSA-N 1 1 424.509 1.781 20 0 HDADMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C(N)=O ZINC001164885060 721385128 /nfs/dbraw/zinc/38/51/28/721385128.db2.gz CFRBGOPYDNRJAS-IIBYNOLFSA-N 1 1 421.973 1.908 20 0 HDADMO COc1cnc(SC)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164894640 721386033 /nfs/dbraw/zinc/38/60/33/721386033.db2.gz ZPIKSRUCOUUDMU-JXFKEZNVSA-N 1 1 407.584 1.973 20 0 HDADMO Clc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164783416 721399509 /nfs/dbraw/zinc/39/95/09/721399509.db2.gz HZJLDCXCRMHCMO-STQMWFEESA-N 1 1 407.931 1.386 20 0 HDADMO COc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1 ZINC001164889949 721411267 /nfs/dbraw/zinc/41/12/67/721411267.db2.gz RXAXSTICUSANGW-OXJNMPFZSA-N 1 1 407.584 1.973 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1 ZINC001164897727 721424602 /nfs/dbraw/zinc/42/46/02/721424602.db2.gz UNUKOPMXAUSCTL-UGKGYDQZSA-N 1 1 400.571 1.842 20 0 HDADMO O=S(=O)(NC1CC1)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164786361 721428014 /nfs/dbraw/zinc/42/80/14/721428014.db2.gz OMRIVXGHEBKZAW-ZIAGYGMSSA-N 1 1 405.549 1.547 20 0 HDADMO O=S(=O)(c1ccnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1)N1CCCC1 ZINC001164785689 721432180 /nfs/dbraw/zinc/43/21/80/721432180.db2.gz OBFSPESTUGBGGD-HOTGVXAUSA-N 1 1 419.576 1.891 20 0 HDADMO Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164894931 721444742 /nfs/dbraw/zinc/44/47/42/721444742.db2.gz NLBBTSLLITZPDP-WIYYLYMNSA-N 1 1 412.542 1.131 20 0 HDADMO COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2c1ccn2C ZINC001164889150 721448275 /nfs/dbraw/zinc/44/82/75/721448275.db2.gz NYFHQPGKVWPMDI-VGSWGCGISA-N 1 1 414.554 1.742 20 0 HDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(N)=O)n1)CC2 ZINC001164788553 721453147 /nfs/dbraw/zinc/45/31/47/721453147.db2.gz RHLCGARSZNHGOR-QGZVFWFLSA-N 1 1 403.527 1.309 20 0 HDADMO CCS(=O)(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889143 721453602 /nfs/dbraw/zinc/45/36/02/721453602.db2.gz NXRNIOJMNCJISC-GHTZIAJQSA-N 1 1 422.595 1.641 20 0 HDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(N)=O)nn1)CC2 ZINC001164784478 721454128 /nfs/dbraw/zinc/45/41/28/721454128.db2.gz FSAASRBYXQHFPL-QGZVFWFLSA-N 1 1 403.527 1.309 20 0 HDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)c2)CC1 ZINC001164884870 721459291 /nfs/dbraw/zinc/45/92/91/721459291.db2.gz BMJYKQWJSWZICX-HSALFYBXSA-N 1 1 400.523 1.817 20 0 HDADMO CN1CCN(c2cccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n2)CC1 ZINC001164790542 721483974 /nfs/dbraw/zinc/48/39/74/721483974.db2.gz FSMFVRSWXZLILR-QYZOEREBSA-N 1 1 409.538 1.386 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCOCC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808997 721531735 /nfs/dbraw/zinc/53/17/35/721531735.db2.gz SZRDFCZGHSQPMO-JQVVWYNYSA-N 1 1 410.522 1.576 20 0 HDADMO C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C ZINC001164907132 721536322 /nfs/dbraw/zinc/53/63/22/721536322.db2.gz MFPLIPYHNLSPRD-UNEWFSDZSA-N 1 1 412.469 1.734 20 0 HDADMO CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907595 721543454 /nfs/dbraw/zinc/54/34/54/721543454.db2.gz NGLQJYIIGALJSD-SJLPKXTDSA-N 1 1 420.510 1.861 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806255 721565850 /nfs/dbraw/zinc/56/58/50/721565850.db2.gz PLNQOUGWGKWPOZ-JENIJYKNSA-N 1 1 417.535 1.253 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806255 721565852 /nfs/dbraw/zinc/56/58/52/721565852.db2.gz PLNQOUGWGKWPOZ-JENIJYKNSA-N 1 1 417.535 1.253 20 0 HDADMO CON(C)C(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799706 721568960 /nfs/dbraw/zinc/56/89/60/721568960.db2.gz DGEWATXSNORXGB-UFYCRDLUSA-N 1 1 411.506 1.978 20 0 HDADMO CON(C)C(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799706 721568964 /nfs/dbraw/zinc/56/89/64/721568964.db2.gz DGEWATXSNORXGB-UFYCRDLUSA-N 1 1 411.506 1.978 20 0 HDADMO CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164811515 721590720 /nfs/dbraw/zinc/59/07/20/721590720.db2.gz YAWTYYGFSUPTOR-BQFCYCMXSA-N 1 1 416.913 1.753 20 0 HDADMO CNC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164811515 721590724 /nfs/dbraw/zinc/59/07/24/721590724.db2.gz YAWTYYGFSUPTOR-BQFCYCMXSA-N 1 1 416.913 1.753 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@H]2CCCO[C@@H]12 ZINC001164801499 721590768 /nfs/dbraw/zinc/59/07/68/721590768.db2.gz FBXHEIQFAFPJFL-HDMKZQKVSA-N 1 1 412.519 1.784 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@H]2CCCO[C@@H]12 ZINC001164801499 721590769 /nfs/dbraw/zinc/59/07/69/721590769.db2.gz FBXHEIQFAFPJFL-HDMKZQKVSA-N 1 1 412.519 1.784 20 0 HDADMO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001164808306 721606799 /nfs/dbraw/zinc/60/67/99/721606799.db2.gz XRLDNDLGIHTWQJ-QFIPXVFZSA-N 1 1 424.553 1.071 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)n2)CC1 ZINC001164932437 721897517 /nfs/dbraw/zinc/89/75/17/721897517.db2.gz HYICBKVNDIBUHV-QRQLOZEOSA-N 1 1 414.554 1.129 20 0 HDADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164938089 721913578 /nfs/dbraw/zinc/91/35/78/721913578.db2.gz WEMFZCLLXQRQDS-IYBDPMFKSA-N 1 1 412.563 1.831 20 0 HDADMO Cc1ccc(N(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957546 722025424 /nfs/dbraw/zinc/02/54/24/722025424.db2.gz CGIZGSVLWDCDHJ-WMZHIEFXSA-N 1 1 423.565 1.981 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164956276 722034845 /nfs/dbraw/zinc/03/48/45/722034845.db2.gz DDVMYWHUXPIBBB-GCJKJVERSA-N 1 1 407.522 1.156 20 0 HDADMO Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963302 722061339 /nfs/dbraw/zinc/06/13/39/722061339.db2.gz WFKUNVQHDVCOIX-UHFFFAOYSA-N 1 1 420.521 1.880 20 0 HDADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1C ZINC001164967854 722074907 /nfs/dbraw/zinc/07/49/07/722074907.db2.gz ZYNKIDKFACAOGN-BETUJISGSA-N 1 1 405.886 1.708 20 0 HDADMO O=C(c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1)N1CCOCC1 ZINC001164967167 722076114 /nfs/dbraw/zinc/07/61/14/722076114.db2.gz MBNYBQKLQKKDIL-CALCHBBNSA-N 1 1 406.914 1.507 20 0 HDADMO CCOC(=O)Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979155 722124079 /nfs/dbraw/zinc/12/40/79/722124079.db2.gz PHDIBMFPQHVEEI-PMACEKPBSA-N 1 1 411.506 1.705 20 0 HDADMO NC(=O)c1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982229 722126148 /nfs/dbraw/zinc/12/61/48/722126148.db2.gz WOUFEDGDMAAZNC-GJZGRUSLSA-N 1 1 402.886 1.351 20 0 HDADMO CON(C)C(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978934 722148667 /nfs/dbraw/zinc/14/86/67/722148667.db2.gz LCDQANCKPPHASV-PMACEKPBSA-N 1 1 411.506 1.837 20 0 HDADMO NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972211 722152675 /nfs/dbraw/zinc/15/26/75/722152675.db2.gz GXOHXJZHALETCA-WBVHZDCISA-N 1 1 401.898 1.956 20 0 HDADMO O=C1CSc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164972094 722156512 /nfs/dbraw/zinc/15/65/12/722156512.db2.gz FKZPPNCNGPTPLM-HZPDHXFCSA-N 1 1 412.519 1.643 20 0 HDADMO COC(=O)c1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164973154 722158311 /nfs/dbraw/zinc/15/83/11/722158311.db2.gz LMCKNPMZAFWZPJ-IAGOWNOFSA-N 1 1 413.478 1.394 20 0 HDADMO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164990231 722187781 /nfs/dbraw/zinc/18/77/81/722187781.db2.gz KWANCBZXYZEHJD-SFHVURJKSA-N 1 1 416.570 1.330 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)ncn2)CC3)CC1 ZINC001164996438 722228639 /nfs/dbraw/zinc/22/86/39/722228639.db2.gz HGFHIKSHDIWNHZ-UHFFFAOYSA-N 1 1 409.872 1.822 20 0 HDADMO COC(=O)c1c(C)cc(C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997584 722233271 /nfs/dbraw/zinc/23/32/71/722233271.db2.gz REVIAIYMLQBBQF-UHFFFAOYSA-N 1 1 410.522 1.632 20 0 HDADMO CCOC(=O)c1c(C)ncnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997556 722233864 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20 0 HDADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000429047559 1073467680 /nfs/dbraw/zinc/46/76/80/1073467680.db2.gz XKEQEDLZMNUOMD-RTWAWAEBSA-N 1 1 412.538 1.991 20 0 HDADMO NC(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)cc1 ZINC000673640696 1073474585 /nfs/dbraw/zinc/47/45/85/1073474585.db2.gz ZIKOCSZYLMCQKO-OAQYLSRUSA-N 1 1 407.518 1.489 20 0 HDADMO NC(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)cc1 ZINC000673640696 1073474592 /nfs/dbraw/zinc/47/45/92/1073474592.db2.gz ZIKOCSZYLMCQKO-OAQYLSRUSA-N 1 1 407.518 1.489 20 0 HDADMO O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000671396324 1073476722 /nfs/dbraw/zinc/47/67/22/1073476722.db2.gz MKKUVIXKIOAWCR-UHFFFAOYSA-N 1 1 406.530 1.853 20 0 HDADMO CNC(=O)Cn1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429053903 1073476759 /nfs/dbraw/zinc/47/67/59/1073476759.db2.gz OHQAQGIJVKGXGH-SFHVURJKSA-N 1 1 400.483 1.042 20 0 HDADMO CNC(=O)CCOC1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000429054727 1073483398 /nfs/dbraw/zinc/48/33/98/1073483398.db2.gz QMBQHSCVSVGKRW-UHFFFAOYSA-N 1 1 418.538 1.710 20 0 HDADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001299281562 1073491909 /nfs/dbraw/zinc/49/19/09/1073491909.db2.gz OUXLLICOFQLVEB-DLBZAZTESA-N 1 1 410.559 1.691 20 0 HDADMO O=C(Cn1cc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cn1)NCCO ZINC000429068595 1073508104 /nfs/dbraw/zinc/50/81/04/1073508104.db2.gz MRKRDOUQKBSKSI-UHFFFAOYSA-N 1 1 418.523 1.184 20 0 HDADMO CCC(CC)(CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC ZINC000429076042 1073513952 /nfs/dbraw/zinc/51/39/52/1073513952.db2.gz HGDIWITXRCAUBN-QGZVFWFLSA-N 1 1 405.543 1.871 20 0 HDADMO CNC(=O)C(C)(C)CNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000429078539 1073522128 /nfs/dbraw/zinc/52/21/28/1073522128.db2.gz YKFBVWNNUYADQK-UHFFFAOYSA-N 1 1 409.962 1.924 20 0 HDADMO CCC[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000509101776 1073525605 /nfs/dbraw/zinc/52/56/05/1073525605.db2.gz AHOKBPIBXRZEOK-QFIPXVFZSA-N 1 1 416.522 1.840 20 0 HDADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001299282136 1073526269 /nfs/dbraw/zinc/52/62/69/1073526269.db2.gz YTLMTQWEEZGRSY-QGZVFWFLSA-N 1 1 417.531 1.650 20 0 HDADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001299282136 1073526279 /nfs/dbraw/zinc/52/62/79/1073526279.db2.gz YTLMTQWEEZGRSY-QGZVFWFLSA-N 1 1 417.531 1.650 20 0 HDADMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@H]1O ZINC000509114611 1073573375 /nfs/dbraw/zinc/57/33/75/1073573375.db2.gz WYMQCDUTDODMCQ-TZMCWYRMSA-N 1 1 402.358 1.467 20 0 HDADMO CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669207 1073622533 /nfs/dbraw/zinc/62/25/33/1073622533.db2.gz FKUJFDZVZSSGKR-OAQYLSRUSA-N 1 1 400.567 1.888 20 0 HDADMO CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669207 1073622537 /nfs/dbraw/zinc/62/25/37/1073622537.db2.gz FKUJFDZVZSSGKR-OAQYLSRUSA-N 1 1 400.567 1.888 20 0 HDADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)cc2)CC1 ZINC000673673197 1073628688 /nfs/dbraw/zinc/62/86/88/1073628688.db2.gz RTZPQNSRACXGFR-UHFFFAOYSA-N 1 1 414.531 1.284 20 0 HDADMO O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673679326 1073632859 /nfs/dbraw/zinc/63/28/59/1073632859.db2.gz YBJVXUOBXLYXES-TZIWHRDSSA-N 1 1 408.502 1.842 20 0 HDADMO O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673679326 1073632866 /nfs/dbraw/zinc/63/28/66/1073632866.db2.gz YBJVXUOBXLYXES-TZIWHRDSSA-N 1 1 408.502 1.842 20 0 HDADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000673684432 1073639030 /nfs/dbraw/zinc/63/90/30/1073639030.db2.gz QZBRRQDBCSOFGT-HXUWFJFHSA-N 1 1 403.504 1.009 20 0 HDADMO CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000673706157 1073646101 /nfs/dbraw/zinc/64/61/01/1073646101.db2.gz DOOVPDDADNDHOP-KRWDZBQOSA-N 1 1 403.527 1.116 20 0 HDADMO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)COCc1ccccc1 ZINC000671422281 1073672322 /nfs/dbraw/zinc/67/23/22/1073672322.db2.gz LFPUMIGPTLVLAE-TZIWHRDSSA-N 1 1 416.566 1.194 20 0 HDADMO CC(=O)N1CCC([N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)Cc2cncs2)CC1 ZINC000429115715 1073677042 /nfs/dbraw/zinc/67/70/42/1073677042.db2.gz PCWUQMGBRLTKRN-UHFFFAOYSA-N 1 1 419.551 1.821 20 0 HDADMO COC(=O)C[C@](C)(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000509129192 1073680125 /nfs/dbraw/zinc/68/01/25/1073680125.db2.gz UYHSBIWFQDKFBM-QHCPKHFHSA-N 1 1 410.518 1.794 20 0 HDADMO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)C1=O ZINC000946691081 1073688383 /nfs/dbraw/zinc/68/83/83/1073688383.db2.gz XKRDMSCMJLINCW-FWBJLSCPSA-N 1 1 401.551 1.590 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000673755841 1073691303 /nfs/dbraw/zinc/69/13/03/1073691303.db2.gz VUVNNKHMZIDJLH-FQEVSTJZSA-N 1 1 408.550 1.722 20 0 HDADMO 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C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676256507 1075452161 /nfs/dbraw/zinc/45/21/61/1075452161.db2.gz ADLXMRXYVCBSDD-YTQUADARSA-N 1 1 409.552 1.064 20 0 HDADMO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676256507 1075452170 /nfs/dbraw/zinc/45/21/70/1075452170.db2.gz ADLXMRXYVCBSDD-YTQUADARSA-N 1 1 409.552 1.064 20 0 HDADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676258145 1075452209 /nfs/dbraw/zinc/45/22/09/1075452209.db2.gz CUTXYADIWULLIV-QAPCUYQASA-N 1 1 411.568 1.488 20 0 HDADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258145 1075452212 /nfs/dbraw/zinc/45/22/12/1075452212.db2.gz CUTXYADIWULLIV-QAPCUYQASA-N 1 1 411.568 1.488 20 0 HDADMO C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257975 1075452750 /nfs/dbraw/zinc/45/27/50/1075452750.db2.gz BBXIKTIUHQIIKF-LPHOPBHVSA-N 1 1 409.552 1.239 20 0 HDADMO C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257975 1075452755 /nfs/dbraw/zinc/45/27/55/1075452755.db2.gz BBXIKTIUHQIIKF-LPHOPBHVSA-N 1 1 409.552 1.239 20 0 HDADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676258272 1075453173 /nfs/dbraw/zinc/45/31/73/1075453173.db2.gz GOKISHDJTPDYKU-KDOFPFPSSA-N 1 1 423.560 1.676 20 0 HDADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258272 1075453181 /nfs/dbraw/zinc/45/31/81/1075453181.db2.gz GOKISHDJTPDYKU-KDOFPFPSSA-N 1 1 423.560 1.676 20 0 HDADMO CCCC[N@H+](CCOC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000731667631 1075454889 /nfs/dbraw/zinc/45/48/89/1075454889.db2.gz UGOPGZUFZKUDOD-UHFFFAOYSA-N 1 1 410.540 1.844 20 0 HDADMO CCCC[N@@H+](CCOC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000731667631 1075454893 /nfs/dbraw/zinc/45/48/93/1075454893.db2.gz UGOPGZUFZKUDOD-UHFFFAOYSA-N 1 1 410.540 1.844 20 0 HDADMO C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000676258530 1075455784 /nfs/dbraw/zinc/45/57/84/1075455784.db2.gz CNNPOJWDMOEOOP-UZLBHIALSA-N 1 1 406.486 1.894 20 0 HDADMO C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258530 1075455787 /nfs/dbraw/zinc/45/57/87/1075455787.db2.gz CNNPOJWDMOEOOP-UZLBHIALSA-N 1 1 406.486 1.894 20 0 HDADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676259247 1075457621 /nfs/dbraw/zinc/45/76/21/1075457621.db2.gz SBJXZKNTHADCCC-YZLZLFLDSA-N 1 1 423.579 1.802 20 0 HDADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676259247 1075457626 /nfs/dbraw/zinc/45/76/26/1075457626.db2.gz SBJXZKNTHADCCC-YZLZLFLDSA-N 1 1 423.579 1.802 20 0 HDADMO C[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000676259284 1075457821 /nfs/dbraw/zinc/45/78/21/1075457821.db2.gz UBHIEWRABAHJPR-BLLLJJGKSA-N 1 1 400.476 1.206 20 0 HDADMO C[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000676259284 1075457824 /nfs/dbraw/zinc/45/78/24/1075457824.db2.gz UBHIEWRABAHJPR-BLLLJJGKSA-N 1 1 400.476 1.206 20 0 HDADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676262037 1075460232 /nfs/dbraw/zinc/46/02/32/1075460232.db2.gz VCDGHPBXKGLOEH-KBXCAEBGSA-N 1 1 407.492 1.207 20 0 HDADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676262037 1075460238 /nfs/dbraw/zinc/46/02/38/1075460238.db2.gz VCDGHPBXKGLOEH-KBXCAEBGSA-N 1 1 407.492 1.207 20 0 HDADMO C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676262193 1075460684 /nfs/dbraw/zinc/46/06/84/1075460684.db2.gz WCHRBECWXUBPLK-FXAWDEMLSA-N 1 1 423.579 1.629 20 0 HDADMO C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676262193 1075460687 /nfs/dbraw/zinc/46/06/87/1075460687.db2.gz WCHRBECWXUBPLK-FXAWDEMLSA-N 1 1 423.579 1.629 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1C[N@H+](C)CCO1 ZINC000676262263 1075461651 /nfs/dbraw/zinc/46/16/51/1075461651.db2.gz WXQAKHMQIQCFOP-OUAUKWLOSA-N 1 1 404.330 1.464 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000676262263 1075461653 /nfs/dbraw/zinc/46/16/53/1075461653.db2.gz WXQAKHMQIQCFOP-OUAUKWLOSA-N 1 1 404.330 1.464 20 0 HDADMO C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676264431 1075463720 /nfs/dbraw/zinc/46/37/20/1075463720.db2.gz RFPHSWCDKVMAAJ-XJKSGUPXSA-N 1 1 407.496 1.116 20 0 HDADMO C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676264431 1075463723 /nfs/dbraw/zinc/46/37/23/1075463723.db2.gz RFPHSWCDKVMAAJ-XJKSGUPXSA-N 1 1 407.496 1.116 20 0 HDADMO C[C@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000731680741 1075464141 /nfs/dbraw/zinc/46/41/41/1075464141.db2.gz UUTGZJVPNWXDMY-QGZVFWFLSA-N 1 1 422.595 1.241 20 0 HDADMO C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676250033 1075466540 /nfs/dbraw/zinc/46/65/40/1075466540.db2.gz KPDUSMZUTNXMNX-SWLSCSKDSA-N 1 1 413.316 1.197 20 0 HDADMO C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250033 1075466547 /nfs/dbraw/zinc/46/65/47/1075466547.db2.gz KPDUSMZUTNXMNX-SWLSCSKDSA-N 1 1 413.316 1.197 20 0 HDADMO C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676251619 1075469051 /nfs/dbraw/zinc/46/90/51/1075469051.db2.gz REKOYMYPAFFLOR-QAPCUYQASA-N 1 1 423.945 1.325 20 0 HDADMO C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676251619 1075469053 /nfs/dbraw/zinc/46/90/53/1075469053.db2.gz REKOYMYPAFFLOR-QAPCUYQASA-N 1 1 423.945 1.325 20 0 HDADMO CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000543666713 1075469213 /nfs/dbraw/zinc/46/92/13/1075469213.db2.gz BQNJMRXCARVGAL-HKBOAZHASA-N 1 1 402.539 1.392 20 0 HDADMO CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000543666713 1075469217 /nfs/dbraw/zinc/46/92/17/1075469217.db2.gz BQNJMRXCARVGAL-HKBOAZHASA-N 1 1 402.539 1.392 20 0 HDADMO C[C@@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676252660 1075470057 /nfs/dbraw/zinc/47/00/57/1075470057.db2.gz ROVYKRGOZJEHSI-CGVQKBNFSA-N 1 1 418.582 1.776 20 0 HDADMO C[C@@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676252660 1075470063 /nfs/dbraw/zinc/47/00/63/1075470063.db2.gz ROVYKRGOZJEHSI-CGVQKBNFSA-N 1 1 418.582 1.776 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C ZINC000676255041 1075472167 /nfs/dbraw/zinc/47/21/67/1075472167.db2.gz RMUOUEHWCOZPFA-DOTOQJQBSA-N 1 1 412.556 1.866 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C ZINC000676255041 1075472177 /nfs/dbraw/zinc/47/21/77/1075472177.db2.gz RMUOUEHWCOZPFA-DOTOQJQBSA-N 1 1 412.556 1.866 20 0 HDADMO CC[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C ZINC000676253320 1075472503 /nfs/dbraw/zinc/47/25/03/1075472503.db2.gz VVGTYHVDGULDNL-VDZJLULYSA-N 1 1 406.527 1.623 20 0 HDADMO CC[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C ZINC000676253320 1075472508 /nfs/dbraw/zinc/47/25/08/1075472508.db2.gz VVGTYHVDGULDNL-VDZJLULYSA-N 1 1 406.527 1.623 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676277650 1075477960 /nfs/dbraw/zinc/47/79/60/1075477960.db2.gz BUMCZSNQKKDZNJ-OXQOHEQNSA-N 1 1 424.501 1.390 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676277650 1075477963 /nfs/dbraw/zinc/47/79/63/1075477963.db2.gz BUMCZSNQKKDZNJ-OXQOHEQNSA-N 1 1 424.501 1.390 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278975 1075479077 /nfs/dbraw/zinc/47/90/77/1075479077.db2.gz LDMLCQZTTFFNPE-PBHICJAKSA-N 1 1 411.462 1.108 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278975 1075479083 /nfs/dbraw/zinc/47/90/83/1075479083.db2.gz LDMLCQZTTFFNPE-PBHICJAKSA-N 1 1 411.462 1.108 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676278991 1075479092 /nfs/dbraw/zinc/47/90/92/1075479092.db2.gz LFKLLHHMRUXTLQ-DNVCBOLYSA-N 1 1 407.474 1.775 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278991 1075479096 /nfs/dbraw/zinc/47/90/96/1075479096.db2.gz LFKLLHHMRUXTLQ-DNVCBOLYSA-N 1 1 407.474 1.775 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000676279174 1075479222 /nfs/dbraw/zinc/47/92/22/1075479222.db2.gz ANPOWLOFMAEYMV-WFASDCNBSA-N 1 1 403.401 1.710 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000676279174 1075479225 /nfs/dbraw/zinc/47/92/25/1075479225.db2.gz ANPOWLOFMAEYMV-WFASDCNBSA-N 1 1 403.401 1.710 20 0 HDADMO 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0 HDADMO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000733156917 1075989236 /nfs/dbraw/zinc/98/92/36/1075989236.db2.gz KCVKNSPFIBGTTL-QGZVFWFLSA-N 1 1 408.543 1.437 20 0 HDADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O ZINC000733155146 1075989258 /nfs/dbraw/zinc/98/92/58/1075989258.db2.gz QZKOMMCCIQIFGO-ZBFHGGJFSA-N 1 1 401.486 1.661 20 0 HDADMO CN(CCCNC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12)S(C)(=O)=O ZINC000492954639 1075989416 /nfs/dbraw/zinc/98/94/16/1075989416.db2.gz QYHFNAUODDPSAP-UHFFFAOYSA-N 1 1 415.581 1.010 20 0 HDADMO CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[NH+]1CCN(C)CC1 ZINC000733157075 1075990733 /nfs/dbraw/zinc/99/07/33/1075990733.db2.gz STNVMACHGCRUMA-INIZCTEOSA-N 1 1 412.556 1.066 20 0 HDADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733170017 1075999746 /nfs/dbraw/zinc/99/97/46/1075999746.db2.gz INCQNCSDGRCXEK-RBYWHNRPSA-N 1 1 415.517 1.509 20 0 HDADMO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001081102014 1076002193 /nfs/dbraw/zinc/00/21/93/1076002193.db2.gz YPSFBALATULXJE-MZNRPPOFSA-N 1 1 403.567 1.839 20 0 HDADMO COC[C@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000733196597 1076002416 /nfs/dbraw/zinc/00/24/16/1076002416.db2.gz DMEKHRPEWVVWHA-LAUBAEHRSA-N 1 1 402.495 1.319 20 0 HDADMO COC[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000733196597 1076002421 /nfs/dbraw/zinc/00/24/21/1076002421.db2.gz DMEKHRPEWVVWHA-LAUBAEHRSA-N 1 1 402.495 1.319 20 0 HDADMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000733218563 1076013987 /nfs/dbraw/zinc/01/39/87/1076013987.db2.gz PYHSCFBYAPBYOW-UHFFFAOYSA-N 1 1 402.720 1.972 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)no1 ZINC000514015418 1076015061 /nfs/dbraw/zinc/01/50/61/1076015061.db2.gz KJHBIAHWGPCUKX-IAOVAPTHSA-N 1 1 404.515 1.247 20 0 HDADMO CO[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959620 1076019946 /nfs/dbraw/zinc/01/99/46/1076019946.db2.gz PTEZXDNDRKJITF-WQNFENHCSA-N 1 1 413.518 1.127 20 0 HDADMO CO[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959620 1076019951 /nfs/dbraw/zinc/01/99/51/1076019951.db2.gz PTEZXDNDRKJITF-WQNFENHCSA-N 1 1 413.518 1.127 20 0 HDADMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1C ZINC001081974882 1076020977 /nfs/dbraw/zinc/02/09/77/1076020977.db2.gz HGNIVCVIWYWOHF-FSAOVCISSA-N 1 1 404.507 1.371 20 0 HDADMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1C ZINC001081974882 1076020983 /nfs/dbraw/zinc/02/09/83/1076020983.db2.gz HGNIVCVIWYWOHF-FSAOVCISSA-N 1 1 404.507 1.371 20 0 HDADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O ZINC000733282666 1076030714 /nfs/dbraw/zinc/03/07/14/1076030714.db2.gz JNMUYDMMBLZQBA-SJORKVTESA-N 1 1 421.925 1.832 20 0 HDADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=S)NCCNS(C)(=O)=O)cc2)C1 ZINC000727077595 1076039334 /nfs/dbraw/zinc/03/93/34/1076039334.db2.gz RFDDHVVVQBMINE-IYBDPMFKSA-N 1 1 412.625 1.678 20 0 HDADMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=S)NCCNS(C)(=O)=O ZINC000727085146 1076041309 /nfs/dbraw/zinc/04/13/09/1076041309.db2.gz OJGJDNVOSRWWIA-KRWDZBQOSA-N 1 1 412.625 1.473 20 0 HDADMO Cc1cc(=O)oc2cc(OCC(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)ccc12 ZINC000733368171 1076055010 /nfs/dbraw/zinc/05/50/10/1076055010.db2.gz SJTDVKUBYCSTLO-HNNXBMFYSA-N 1 1 422.503 1.058 20 0 HDADMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)c2cccs2)CC1 ZINC000053273487 1076055354 /nfs/dbraw/zinc/05/53/54/1076055354.db2.gz NBZVEVBZTWTCRM-KRWDZBQOSA-N 1 1 402.520 1.331 20 0 HDADMO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cn1 ZINC000054887450 1076064598 /nfs/dbraw/zinc/06/45/98/1076064598.db2.gz VPEFYDPUOCSGRA-ZDUSSCGKSA-N 1 1 411.300 1.353 20 0 HDADMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cn1 ZINC000054887450 1076064606 /nfs/dbraw/zinc/06/46/06/1076064606.db2.gz VPEFYDPUOCSGRA-ZDUSSCGKSA-N 1 1 411.300 1.353 20 0 HDADMO C[NH+](C)CCN(C(=S)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000727274623 1076091297 /nfs/dbraw/zinc/09/12/97/1076091297.db2.gz JESSXZLYVUUKDF-OAHLLOKOSA-N 1 1 413.565 1.595 20 0 HDADMO CN(C(=S)NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000727288675 1076092565 /nfs/dbraw/zinc/09/25/65/1076092565.db2.gz IJNDUNLBHMDEPJ-UHFFFAOYSA-N 1 1 404.580 1.820 20 0 HDADMO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000727317430 1076095952 /nfs/dbraw/zinc/09/59/52/1076095952.db2.gz PAXGNQLWPMBSOO-GFCCVEGCSA-N 1 1 411.505 1.027 20 0 HDADMO CCC[N@H+]1Cc2cccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C1 ZINC000727343013 1076097310 /nfs/dbraw/zinc/09/73/10/1076097310.db2.gz XBHCZUJEATVMSV-HNNXBMFYSA-N 1 1 418.519 1.516 20 0 HDADMO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000727375728 1076100703 /nfs/dbraw/zinc/10/07/03/1076100703.db2.gz UMCLIONUTLMSNK-NHCUHLMSSA-N 1 1 414.550 1.930 20 0 HDADMO CCOC(=O)C1=C(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)NC(=O)N[C@H]1C ZINC000727385094 1076102715 /nfs/dbraw/zinc/10/27/15/1076102715.db2.gz XUDBZAOZCSIPMZ-YJBOKZPZSA-N 1 1 402.495 1.168 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733574650 1076124704 /nfs/dbraw/zinc/12/47/04/1076124704.db2.gz LCTZLGSIIYDKJY-OAHLLOKOSA-N 1 1 412.918 1.431 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000733627481 1076131672 /nfs/dbraw/zinc/13/16/72/1076131672.db2.gz LMBMHRGGNJOXRW-UHFFFAOYSA-N 1 1 424.567 1.799 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H](OC)C(F)(F)F ZINC000733627084 1076131744 /nfs/dbraw/zinc/13/17/44/1076131744.db2.gz DSBWEJDMNXGZBR-OAHLLOKOSA-N 1 1 418.416 1.782 20 0 HDADMO CO[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000733672910 1076155176 /nfs/dbraw/zinc/15/51/76/1076155176.db2.gz AHYZNEARKKOYBY-HEHGZKQESA-N 1 1 417.428 1.928 20 0 HDADMO CO[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000733674423 1076156132 /nfs/dbraw/zinc/15/61/32/1076156132.db2.gz NNGHRROBSJUPMJ-OAHLLOKOSA-N 1 1 403.401 1.193 20 0 HDADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCSC(C)(C)C)cc2)CC1 ZINC000727622008 1076188292 /nfs/dbraw/zinc/18/82/92/1076188292.db2.gz XEOXPQDBTZWXKO-UHFFFAOYSA-N 1 1 406.552 1.661 20 0 HDADMO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000727727694 1076213040 /nfs/dbraw/zinc/21/30/40/1076213040.db2.gz OYGQBXKLMSHRBH-WMZOPIPTSA-N 1 1 424.586 1.938 20 0 HDADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000022693323 1076218774 /nfs/dbraw/zinc/21/87/74/1076218774.db2.gz VHQTWKOPJFLPSB-GOSISDBHSA-N 1 1 411.568 1.445 20 0 HDADMO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[NH+]1CCOCC1 ZINC000727766126 1076219492 /nfs/dbraw/zinc/21/94/92/1076219492.db2.gz PAWQUZWFZROZAV-HSALFYBXSA-N 1 1 419.522 1.231 20 0 HDADMO CC(C)(CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@H+]1CCc2ccccc2C1 ZINC000727768138 1076221629 /nfs/dbraw/zinc/22/16/29/1076221629.db2.gz XNYMOTHGCWPZQW-IBGZPJMESA-N 1 1 414.531 1.670 20 0 HDADMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727752278 1076225498 /nfs/dbraw/zinc/22/54/98/1076225498.db2.gz HQXGRMDQJJXRFH-LJQANCHMSA-N 1 1 400.504 1.369 20 0 HDADMO CON(C)S(=O)(=O)c1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1Cl ZINC000733879275 1076237349 /nfs/dbraw/zinc/23/73/49/1076237349.db2.gz UHRSYHOOCXYLJO-UHFFFAOYSA-N 1 1 415.903 1.251 20 0 HDADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1 ZINC000733882432 1076238130 /nfs/dbraw/zinc/23/81/30/1076238130.db2.gz MGTKKTNIENGNDZ-UHFFFAOYSA-N 1 1 416.975 1.252 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)no1 ZINC000532805065 1076239231 /nfs/dbraw/zinc/23/92/31/1076239231.db2.gz ZHHBWLYDKRUJOE-ROUUACIJSA-N 1 1 403.527 1.988 20 0 HDADMO CO[C@@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001299764163 1076241135 /nfs/dbraw/zinc/24/11/35/1076241135.db2.gz OSRCYSIENSIBET-RXVVDRJESA-N 1 1 407.559 1.900 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)no1 ZINC000533269562 1076242688 /nfs/dbraw/zinc/24/26/88/1076242688.db2.gz XKODYLUSJBHANX-MRXNPFEDSA-N 1 1 413.457 1.975 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)c(F)c3)C2)no1 ZINC000533269562 1076242695 /nfs/dbraw/zinc/24/26/95/1076242695.db2.gz XKODYLUSJBHANX-MRXNPFEDSA-N 1 1 413.457 1.975 20 0 HDADMO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533832424 1076245465 /nfs/dbraw/zinc/24/54/65/1076245465.db2.gz LMFOZYFLQYYQIY-LJQANCHMSA-N 1 1 403.504 1.528 20 0 HDADMO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533832424 1076245467 /nfs/dbraw/zinc/24/54/67/1076245467.db2.gz LMFOZYFLQYYQIY-LJQANCHMSA-N 1 1 403.504 1.528 20 0 HDADMO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000534183910 1076246946 /nfs/dbraw/zinc/24/69/46/1076246946.db2.gz OBGPMCJEAGBWSR-SFTDATJTSA-N 1 1 416.543 1.844 20 0 HDADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535267006 1076250589 /nfs/dbraw/zinc/25/05/89/1076250589.db2.gz AIQWUXCFQBCPBW-DYVFJYSZSA-N 1 1 405.524 1.007 20 0 HDADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535267006 1076250590 /nfs/dbraw/zinc/25/05/90/1076250590.db2.gz AIQWUXCFQBCPBW-DYVFJYSZSA-N 1 1 405.524 1.007 20 0 HDADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 ZINC000535274321 1076251089 /nfs/dbraw/zinc/25/10/89/1076251089.db2.gz BXQUJGOJFQLVTI-MOPGFXCFSA-N 1 1 420.469 1.220 20 0 HDADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 ZINC000535274321 1076251093 /nfs/dbraw/zinc/25/10/93/1076251093.db2.gz BXQUJGOJFQLVTI-MOPGFXCFSA-N 1 1 420.469 1.220 20 0 HDADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)C1 ZINC000535388799 1076252727 /nfs/dbraw/zinc/25/27/27/1076252727.db2.gz RHIRMEICIQWIGX-KRWDZBQOSA-N 1 1 417.579 1.908 20 0 HDADMO COc1ccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000536031941 1076254234 /nfs/dbraw/zinc/25/42/34/1076254234.db2.gz GPXZQNFJQMEEBW-KRWDZBQOSA-N 1 1 403.504 1.862 20 0 HDADMO COc1ccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000536031941 1076254238 /nfs/dbraw/zinc/25/42/38/1076254238.db2.gz GPXZQNFJQMEEBW-KRWDZBQOSA-N 1 1 403.504 1.862 20 0 HDADMO COc1c(F)cc(CC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1S(N)(=O)=O ZINC000536035650 1076254610 /nfs/dbraw/zinc/25/46/10/1076254610.db2.gz MHJGGQZZUZFIRJ-MRXNPFEDSA-N 1 1 407.467 1.327 20 0 HDADMO COc1c(F)cc(CC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1S(N)(=O)=O ZINC000536035650 1076254614 /nfs/dbraw/zinc/25/46/14/1076254614.db2.gz MHJGGQZZUZFIRJ-MRXNPFEDSA-N 1 1 407.467 1.327 20 0 HDADMO 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ZINC000674678793 1074521053 /nfs/dbraw/zinc/52/10/53/1074521053.db2.gz FWKMMDMUOSUSGV-UHFFFAOYSA-N 1 1 417.554 1.835 20 0 HDADMO COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000674682372 1074521992 /nfs/dbraw/zinc/52/19/92/1074521992.db2.gz XIGOHHGOFMQTDS-CYBMUJFWSA-N 1 1 421.885 1.728 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@H+](C)CCO)c1 ZINC000674700122 1074528219 /nfs/dbraw/zinc/52/82/19/1074528219.db2.gz GPEUDDOTNXMGQP-UHFFFAOYSA-N 1 1 401.529 1.367 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C[N@@H+](C)CCO)c1 ZINC000674700122 1074528225 /nfs/dbraw/zinc/52/82/25/1074528225.db2.gz GPEUDDOTNXMGQP-UHFFFAOYSA-N 1 1 401.529 1.367 20 0 HDADMO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccccc1CN1CCOCC1 ZINC000429239035 1074530896 /nfs/dbraw/zinc/53/08/96/1074530896.db2.gz SPOCRIXJDNOXOL-JOCHJYFZSA-N 1 1 401.551 1.884 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000674714531 1074533078 /nfs/dbraw/zinc/53/30/78/1074533078.db2.gz XSHMWZLEFBCFTE-KRWDZBQOSA-N 1 1 409.552 1.955 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000674714531 1074533086 /nfs/dbraw/zinc/53/30/86/1074533086.db2.gz XSHMWZLEFBCFTE-KRWDZBQOSA-N 1 1 409.552 1.955 20 0 HDADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674786014 1074565704 /nfs/dbraw/zinc/56/57/04/1074565704.db2.gz PRHBPNQVXXQHEC-WMZOPIPTSA-N 1 1 419.551 1.115 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000674800732 1074574551 /nfs/dbraw/zinc/57/45/51/1074574551.db2.gz OPODJWOWQJZDTM-QGZVFWFLSA-N 1 1 403.914 1.866 20 0 HDADMO CCCCN(C(=O)C[N@H+]1CCCC[C@H]1CCO)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000674872131 1074593706 /nfs/dbraw/zinc/59/37/06/1074593706.db2.gz ULUYARXIAOAJCD-HNNXBMFYSA-N 1 1 409.531 1.311 20 0 HDADMO Cc1ccc(NC(=O)C[NH+]2CCC(OCCCO)CC2)cc1S(=O)(=O)N(C)C ZINC000674914331 1074612474 /nfs/dbraw/zinc/61/24/74/1074612474.db2.gz XFXIVPOIGMFSPE-UHFFFAOYSA-N 1 1 413.540 1.047 20 0 HDADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000674918247 1074620588 /nfs/dbraw/zinc/62/05/88/1074620588.db2.gz RVRJLUVBRBZVKP-UXHICEINSA-N 1 1 416.522 1.164 20 0 HDADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674916891 1074627327 /nfs/dbraw/zinc/62/73/27/1074627327.db2.gz GXAMURUBFUDOHN-FCHUYYIVSA-N 1 1 416.566 1.784 20 0 HDADMO C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c2cccs2)CC1 ZINC000674972353 1074647934 /nfs/dbraw/zinc/64/79/34/1074647934.db2.gz RVUJHJKMGILPDP-KZNAEPCWSA-N 1 1 408.568 1.626 20 0 HDADMO CN1CC[NH+](C(C)(C)CNC(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000674971288 1074655360 /nfs/dbraw/zinc/65/53/60/1074655360.db2.gz AKQCAVQXDRWAOM-UHFFFAOYSA-N 1 1 414.453 1.842 20 0 HDADMO CC(C)c1cc(NC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)no1 ZINC000446553263 1074657626 /nfs/dbraw/zinc/65/76/26/1074657626.db2.gz BFUWIVLYZFAPCB-UHFFFAOYSA-N 1 1 415.494 1.883 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCCO[C@H]3CCOC3)cc2)CC1 ZINC000674980978 1074657646 /nfs/dbraw/zinc/65/76/46/1074657646.db2.gz UJMBUYQLTRJNEB-IBGZPJMESA-N 1 1 404.511 1.781 20 0 HDADMO CC(C)c1cc(NC(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000536984099 1074658389 /nfs/dbraw/zinc/65/83/89/1074658389.db2.gz OCLGILQZJMLZNR-IYBDPMFKSA-N 1 1 422.526 1.853 20 0 HDADMO CC(C)c1cc(NC(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000536984099 1074658392 /nfs/dbraw/zinc/65/83/92/1074658392.db2.gz OCLGILQZJMLZNR-IYBDPMFKSA-N 1 1 422.526 1.853 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000804218890 1074659348 /nfs/dbraw/zinc/65/93/48/1074659348.db2.gz KEJRKOPZKCREGN-KRWDZBQOSA-N 1 1 403.571 1.684 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429308953 1074668947 /nfs/dbraw/zinc/66/89/47/1074668947.db2.gz MDEWUKNKJZLXSM-ZIFCJYIRSA-N 1 1 418.538 1.606 20 0 HDADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)NC(=O)C3CCCC3)cc2)CC1 ZINC000509304008 1074682604 /nfs/dbraw/zinc/68/26/04/1074682604.db2.gz JDEQGIVGXSDCBT-MRXNPFEDSA-N 1 1 400.523 1.984 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1 ZINC000675107628 1074722664 /nfs/dbraw/zinc/72/26/64/1074722664.db2.gz XECTXBUFQOBFIS-XNGFIGEISA-N 1 1 413.522 1.669 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)C1 ZINC000675111849 1074724545 /nfs/dbraw/zinc/72/45/45/1074724545.db2.gz IHTKEGREFTZZPY-IAGOWNOFSA-N 1 1 406.962 1.735 20 0 HDADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3COc4c3cccc4Cl)CC2)CC1 ZINC000675123101 1074725036 /nfs/dbraw/zinc/72/50/36/1074725036.db2.gz JSPXMVWQWRDVSN-QGZVFWFLSA-N 1 1 406.914 1.969 20 0 HDADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470619883 1074726475 /nfs/dbraw/zinc/72/64/75/1074726475.db2.gz PCRQJCJILQHMFA-XHSDSOJGSA-N 1 1 417.597 1.582 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000467469229 1074728545 /nfs/dbraw/zinc/72/85/45/1074728545.db2.gz MUBDGHBTCOWWCE-ZFWWWQNUSA-N 1 1 403.508 2.428 20 0 HDADMO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560021953 1074731210 /nfs/dbraw/zinc/73/12/10/1074731210.db2.gz MYOBJSNQYIIZLF-LSDHHAIUSA-N 1 1 413.444 1.762 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[N@H+]1Cc1ccccc1 ZINC000675126695 1074731632 /nfs/dbraw/zinc/73/16/32/1074731632.db2.gz IUGUTIGFVFCGRL-BEFAXECRSA-N 1 1 406.486 1.690 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)cc2)CC1 ZINC000675127325 1074733799 /nfs/dbraw/zinc/73/37/99/1074733799.db2.gz HIKWWHPNUOUIBR-MAEOIBBWSA-N 1 1 416.522 1.070 20 0 HDADMO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)nn1C1CCCCC1 ZINC000569773267 1074737278 /nfs/dbraw/zinc/73/72/78/1074737278.db2.gz RKJNNIRPNCITDH-UHFFFAOYSA-N 1 1 404.559 1.777 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)nn1-c1cccc(F)c1 ZINC000554009240 1074743226 /nfs/dbraw/zinc/74/32/26/1074743226.db2.gz GGJKKVYKOQRFTE-SFHVURJKSA-N 1 1 417.485 1.611 20 0 HDADMO CCC(=O)N1CC[C@H](Nc2cc(N[C@H]3CCN(C(=O)CC)C3)c3ccncc3[nH+]2)C1 ZINC000550386148 1074770819 /nfs/dbraw/zinc/77/08/19/1074770819.db2.gz CFGYJPYCHHHUEH-HOTGVXAUSA-N 1 1 410.522 2.475 20 0 HDADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429243989 1074778817 /nfs/dbraw/zinc/77/88/17/1074778817.db2.gz CYRNMAYIJPWAQW-YOEHRIQHSA-N 1 1 407.536 1.360 20 0 HDADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429243989 1074778824 /nfs/dbraw/zinc/77/88/24/1074778824.db2.gz CYRNMAYIJPWAQW-YOEHRIQHSA-N 1 1 407.536 1.360 20 0 HDADMO CCC(CC)[C@@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)[NH+]1CCOCC1 ZINC000460670856 1074783812 /nfs/dbraw/zinc/78/38/12/1074783812.db2.gz JQSMAWXPINJXQA-IBGZPJMESA-N 1 1 406.527 2.297 20 0 HDADMO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280088 1074784214 /nfs/dbraw/zinc/78/42/14/1074784214.db2.gz CSAZVWPVQVOMRC-LJQANCHMSA-N 1 1 421.563 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C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676259052 1075453818 /nfs/dbraw/zinc/45/38/18/1075453818.db2.gz QAGKFJUDVCLHQO-OXQOHEQNSA-N 1 1 417.531 1.961 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1C ZINC000676258297 1075453837 /nfs/dbraw/zinc/45/38/37/1075453837.db2.gz HHSULIDAUGKMAU-PXNSSMCTSA-N 1 1 423.579 1.539 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1C ZINC000676258297 1075453838 /nfs/dbraw/zinc/45/38/38/1075453838.db2.gz HHSULIDAUGKMAU-PXNSSMCTSA-N 1 1 423.579 1.539 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676258545 1075456016 /nfs/dbraw/zinc/45/60/16/1075456016.db2.gz JFOBHCKFIHVZQO-WOSRLPQWSA-N 1 1 410.312 1.637 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676258545 1075456022 /nfs/dbraw/zinc/45/60/22/1075456022.db2.gz JFOBHCKFIHVZQO-WOSRLPQWSA-N 1 1 410.312 1.637 20 0 HDADMO 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C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676263762 1075462321 /nfs/dbraw/zinc/46/23/21/1075462321.db2.gz CCRWTZHTCDOOIZ-IUODEOHRSA-N 1 1 416.519 1.743 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676263762 1075462323 /nfs/dbraw/zinc/46/23/23/1075462323.db2.gz CCRWTZHTCDOOIZ-IUODEOHRSA-N 1 1 416.519 1.743 20 0 HDADMO Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000676264186 1075462406 /nfs/dbraw/zinc/46/24/06/1075462406.db2.gz MTZZFTDIHUBHCC-GOEBONIOSA-N 1 1 412.556 1.912 20 0 HDADMO Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000676264186 1075462409 /nfs/dbraw/zinc/46/24/09/1075462409.db2.gz MTZZFTDIHUBHCC-GOEBONIOSA-N 1 1 412.556 1.912 20 0 HDADMO C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676264428 1075463700 /nfs/dbraw/zinc/46/37/00/1075463700.db2.gz RFPHSWCDKVMAAJ-BBRMVZONSA-N 1 1 407.496 1.116 20 0 HDADMO 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OLRXXXFBBZVXSE-KRWDZBQOSA-N 1 1 403.508 1.002 20 0 HDADMO COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000732203857 1075675433 /nfs/dbraw/zinc/67/54/33/1075675433.db2.gz KGUYFRMCASCDJG-NRFANRHFSA-N 1 1 401.482 1.915 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001545675296 1075677886 /nfs/dbraw/zinc/67/78/86/1075677886.db2.gz VOFGEYGWYVASDK-SCTDSRPQSA-N 1 1 411.554 1.709 20 0 HDADMO COc1ccc(COC[C@@H](O)C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1OC ZINC000429256163 1075691334 /nfs/dbraw/zinc/69/13/34/1075691334.db2.gz VLWNNMMXMNAOJX-KRWDZBQOSA-N 1 1 401.525 1.338 20 0 HDADMO COc1ccc(COC[C@H](O)C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1OC ZINC000429256164 1075691358 /nfs/dbraw/zinc/69/13/58/1075691358.db2.gz VLWNNMMXMNAOJX-QGZVFWFLSA-N 1 1 401.525 1.338 20 0 HDADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC000553512250 1075693067 /nfs/dbraw/zinc/69/30/67/1075693067.db2.gz AMMMOFUYTRXKBJ-MRXNPFEDSA-N 1 1 417.558 1.407 20 0 HDADMO COc1cc(C[NH+]2CCN(c3ncnc4nc(N)ccc43)CC2)cc(OC)c1OC ZINC000534147487 1075696152 /nfs/dbraw/zinc/69/61/52/1075696152.db2.gz IFXZVVSMHFVTFU-UHFFFAOYSA-N 1 1 410.478 1.955 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC[N@H+]1CC(C)(C)O ZINC000444821232 1075698476 /nfs/dbraw/zinc/69/84/76/1075698476.db2.gz YWQWXFBSCVGBBM-CYBMUJFWSA-N 1 1 407.515 2.577 20 0 HDADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1 ZINC001084993273 1075699666 /nfs/dbraw/zinc/69/96/66/1075699666.db2.gz WCFMMWQJDFKNBB-ZNGBIBEOSA-N 1 1 410.518 1.906 20 0 HDADMO COc1cc2[nH+]c(NC[C@@H]3CN(Cc4ccccc4)CCO3)nc(N)c2cc1OC ZINC000599441202 1075702215 /nfs/dbraw/zinc/70/22/15/1075702215.db2.gz ULYGYOKZUDOKLG-MRXNPFEDSA-N 1 1 409.490 1.964 20 0 HDADMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O ZINC000429466368 1075704540 /nfs/dbraw/zinc/70/45/40/1075704540.db2.gz YPSGSUIFCZIRPQ-ILXRZTDVSA-N 1 1 406.449 1.292 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446805682 1075704751 /nfs/dbraw/zinc/70/47/51/1075704751.db2.gz GOCHZKBWMYTARV-GDBMZVCRSA-N 1 1 423.439 2.411 20 0 HDADMO COc1cc2[nH+]c(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)nc(N)c2cc1OC ZINC000561338693 1075705319 /nfs/dbraw/zinc/70/53/19/1075705319.db2.gz QKVBERXKALPDJE-LBPRGKRZSA-N 1 1 409.512 1.337 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000509437248 1075705641 /nfs/dbraw/zinc/70/56/41/1075705641.db2.gz IXEPGLMIYQCAEX-LJQANCHMSA-N 1 1 414.550 1.485 20 0 HDADMO COc1cc2[nH+]c(N3CC[C@H](S(=O)(=O)N4CCCC4)C3)nc(N)c2cc1OC ZINC000486915417 1075707114 /nfs/dbraw/zinc/70/71/14/1075707114.db2.gz XOXPYKZXBQRHJV-LBPRGKRZSA-N 1 1 407.496 1.234 20 0 HDADMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000549165462 1075709784 /nfs/dbraw/zinc/70/97/84/1075709784.db2.gz JFFPDSFSWVOZAB-WBVHZDCISA-N 1 1 411.506 1.757 20 0 HDADMO 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ATQOSEAJQJWQIQ-SFHVURJKSA-N 1 1 405.539 1.361 20 0 HDADMO Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672058013 1075788834 /nfs/dbraw/zinc/78/88/34/1075788834.db2.gz YJOGMHGAQVVLGJ-GOSISDBHSA-N 1 1 411.550 1.373 20 0 HDADMO CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732562545 1075789028 /nfs/dbraw/zinc/78/90/28/1075789028.db2.gz GIGTUZDZNZJOPQ-HNNXBMFYSA-N 1 1 420.608 1.922 20 0 HDADMO CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732562545 1075789031 /nfs/dbraw/zinc/78/90/31/1075789031.db2.gz GIGTUZDZNZJOPQ-HNNXBMFYSA-N 1 1 420.608 1.922 20 0 HDADMO C[N@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1(C)C ZINC000443116816 1075791801 /nfs/dbraw/zinc/79/18/01/1075791801.db2.gz DMNOLOVYQGYLFK-UHFFFAOYSA-N 1 1 418.929 1.606 20 0 HDADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000551045816 1075797853 /nfs/dbraw/zinc/79/78/53/1075797853.db2.gz YFYLPSAXYZKUJQ-AWEZNQCLSA-N 1 1 415.460 1.867 20 0 HDADMO 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Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000732661168 1075819695 /nfs/dbraw/zinc/81/96/95/1075819695.db2.gz RNBCLVUDWPWRJI-UHFFFAOYSA-N 1 1 406.512 1.087 20 0 HDADMO CSC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000429285382 1075820388 /nfs/dbraw/zinc/82/03/88/1075820388.db2.gz OBRRRSBPPTTXBJ-HNNXBMFYSA-N 1 1 403.556 1.087 20 0 HDADMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732674161 1075828525 /nfs/dbraw/zinc/82/85/25/1075828525.db2.gz DDJRTVIKPJQFKI-ZDUSSCGKSA-N 1 1 414.494 1.722 20 0 HDADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C[C@H]1C ZINC000611100451 1075833861 /nfs/dbraw/zinc/83/38/61/1075833861.db2.gz FOZBEOTXOBSPEB-OAHLLOKOSA-N 1 1 402.495 1.565 20 0 HDADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C[C@H]1C ZINC000611100451 1075833866 /nfs/dbraw/zinc/83/38/66/1075833866.db2.gz FOZBEOTXOBSPEB-OAHLLOKOSA-N 1 1 402.495 1.565 20 0 HDADMO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 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C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000509417756 1075574773 /nfs/dbraw/zinc/57/47/73/1075574773.db2.gz QUSQZRGYRZDZHT-HZPDHXFCSA-N 1 1 408.568 1.241 20 0 HDADMO C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[N@@H+](C)Cc1ccccc1 ZINC000520340390 1075576237 /nfs/dbraw/zinc/57/62/37/1075576237.db2.gz DQIKSMKZMUJVIU-SFHVURJKSA-N 1 1 417.579 1.950 20 0 HDADMO CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C ZINC000731967513 1075578647 /nfs/dbraw/zinc/57/86/47/1075578647.db2.gz XCORKFPHLNIGHI-IBGZPJMESA-N 1 1 402.495 1.605 20 0 HDADMO CC(C)[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000509419711 1075580103 /nfs/dbraw/zinc/58/01/03/1075580103.db2.gz CVKAGBQZZMRAKR-UZLBHIALSA-N 1 1 404.559 1.588 20 0 HDADMO CS(=O)(=O)NC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000676541879 1075580451 /nfs/dbraw/zinc/58/04/51/1075580451.db2.gz UUYKNLIRNSYFIF-AEFFLSMTSA-N 1 1 412.600 1.897 20 0 HDADMO 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ZINC000732058169 1075597369 /nfs/dbraw/zinc/59/73/69/1075597369.db2.gz XMZQWPNCMPYCAR-MZMPXXGTSA-N 1 1 421.545 1.949 20 0 HDADMO CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000732058169 1075597373 /nfs/dbraw/zinc/59/73/73/1075597373.db2.gz XMZQWPNCMPYCAR-MZMPXXGTSA-N 1 1 421.545 1.949 20 0 HDADMO CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000732058169 1075597378 /nfs/dbraw/zinc/59/73/78/1075597378.db2.gz XMZQWPNCMPYCAR-MZMPXXGTSA-N 1 1 421.545 1.949 20 0 HDADMO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000732061526 1075598353 /nfs/dbraw/zinc/59/83/53/1075598353.db2.gz NKXGVZOCAFRICY-ROUUACIJSA-N 1 1 405.543 1.127 20 0 HDADMO Cn1cc(-c2ccc(NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)nn2)cn1 ZINC000518884573 1075598425 /nfs/dbraw/zinc/59/84/25/1075598425.db2.gz LXOOZWFPSQSSNZ-UHFFFAOYSA-N 1 1 406.494 1.821 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)C1 ZINC000732066135 1075600991 /nfs/dbraw/zinc/60/09/91/1075600991.db2.gz CQBORCDFSCFCMS-CYBMUJFWSA-N 1 1 416.400 1.611 20 0 HDADMO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)[NH+]2CCCC2)o1 ZINC000804176288 1075603653 /nfs/dbraw/zinc/60/36/53/1075603653.db2.gz JFBDESQFHZWLHG-SJORKVTESA-N 1 1 405.495 1.643 20 0 HDADMO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1OC ZINC000509423710 1075604389 /nfs/dbraw/zinc/60/43/89/1075604389.db2.gz XBEFPNRGJDKEFS-LBPRGKRZSA-N 1 1 403.932 1.671 20 0 HDADMO Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)[NH+]2CCCC2)o1 ZINC000804178828 1075605134 /nfs/dbraw/zinc/60/51/34/1075605134.db2.gz QIILBUYQXHQBIN-IRXDYDNUSA-N 1 1 405.495 1.453 20 0 HDADMO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000676626977 1075623955 /nfs/dbraw/zinc/62/39/55/1075623955.db2.gz QDANFWALYQFDMF-AWEZNQCLSA-N 1 1 406.508 1.610 20 0 HDADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000676633399 1075625166 /nfs/dbraw/zinc/62/51/66/1075625166.db2.gz BODDBDGYARZMGT-CHWSQXEVSA-N 1 1 411.351 1.994 20 0 HDADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000732115223 1075628213 /nfs/dbraw/zinc/62/82/13/1075628213.db2.gz ZPTWWALZVYFTQD-UHFFFAOYSA-N 1 1 419.547 1.963 20 0 HDADMO COc1cccc(N2C[C@H](Nc3nc(N)c4cc(OC)c(OC)cc4[nH+]3)CC2=O)c1 ZINC000599834527 1075634976 /nfs/dbraw/zinc/63/49/76/1075634976.db2.gz FWRQDGOSVVNAIA-GFCCVEGCSA-N 1 1 409.446 1.877 20 0 HDADMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1 ZINC000508545750 1075636614 /nfs/dbraw/zinc/63/66/14/1075636614.db2.gz QDYXJPMLDNYPRB-HNNXBMFYSA-N 1 1 423.521 1.780 20 0 HDADMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000676659498 1075640849 /nfs/dbraw/zinc/64/08/49/1075640849.db2.gz RFPSJUZNZDCVMD-MRXNPFEDSA-N 1 1 419.489 1.943 20 0 HDADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000732149002 1075649481 /nfs/dbraw/zinc/64/94/81/1075649481.db2.gz ADKOYBRSOASTAG-ZDUSSCGKSA-N 1 1 403.552 1.570 20 0 HDADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCc2nc(N)c3ccccc3n2)C1 ZINC000517965316 1075652163 /nfs/dbraw/zinc/65/21/63/1075652163.db2.gz GZCNADFXGVTEQJ-HNNXBMFYSA-N 1 1 403.552 1.918 20 0 HDADMO CN(CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188503 1075654444 /nfs/dbraw/zinc/65/44/44/1075654444.db2.gz JWBWDQDNEYVGCZ-JTSKRJEESA-N 1 1 414.506 1.784 20 0 HDADMO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCCOC[C@H]2C)C2CCCC2)c(=O)[nH]c1=O ZINC000676713719 1075658175 /nfs/dbraw/zinc/65/81/75/1075658175.db2.gz QWKGKSPOZASRMP-OAHLLOKOSA-N 1 1 421.542 1.718 20 0 HDADMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCCOC[C@H]2C)C2CCCC2)c(=O)[nH]c1=O ZINC000676713719 1075658177 /nfs/dbraw/zinc/65/81/77/1075658177.db2.gz QWKGKSPOZASRMP-OAHLLOKOSA-N 1 1 421.542 1.718 20 0 HDADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676729497 1075662635 /nfs/dbraw/zinc/66/26/35/1075662635.db2.gz HYOVSYNCBDDFNE-AEFFLSMTSA-N 1 1 400.523 1.140 20 0 HDADMO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000732210140 1075667728 /nfs/dbraw/zinc/66/77/28/1075667728.db2.gz DFSMRGPRAFOLLE-MRXNPFEDSA-N 1 1 408.524 1.140 20 0 HDADMO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CN(C)CCO1 ZINC000676740302 1075672130 /nfs/dbraw/zinc/67/21/30/1075672130.db2.gz UAPYBBZMRFMFSU-IHPCNDPISA-N 1 1 416.566 1.239 20 0 HDADMO CC[C@H]1CN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC[N@H+]1Cc1ccccc1 ZINC000546858397 1075676102 /nfs/dbraw/zinc/67/61/02/1075676102.db2.gz WGVMVTUMVVCAKU-SFHVURJKSA-N 1 1 407.522 1.989 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000732245613 1075679088 /nfs/dbraw/zinc/67/90/88/1075679088.db2.gz BRZPOHUCYBHNLN-BLLLJJGKSA-N 1 1 417.337 1.913 20 0 HDADMO C[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000732249561 1075680280 /nfs/dbraw/zinc/68/02/80/1075680280.db2.gz TUGWYSPRAVENBX-SFHVURJKSA-N 1 1 418.563 1.926 20 0 HDADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)C1=O ZINC000141213117 1075680828 /nfs/dbraw/zinc/68/08/28/1075680828.db2.gz OVFXIQWFMGFGSA-QHCPKHFHSA-N 1 1 406.486 1.974 20 0 HDADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)C1=O ZINC000141213117 1075680834 /nfs/dbraw/zinc/68/08/34/1075680834.db2.gz OVFXIQWFMGFGSA-QHCPKHFHSA-N 1 1 406.486 1.974 20 0 HDADMO CCCN1C(=O)N(c2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C(=O)[C@@H]1C ZINC000804205667 1075681211 /nfs/dbraw/zinc/68/12/11/1075681211.db2.gz OTETXSBBNRIHSB-INIZCTEOSA-N 1 1 401.511 1.464 20 0 HDADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000732233218 1075685586 /nfs/dbraw/zinc/68/55/86/1075685586.db2.gz YGJBAFOFNJKUBI-RTBURBONSA-N 1 1 403.527 1.369 20 0 HDADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000732275311 1075686789 /nfs/dbraw/zinc/68/67/89/1075686789.db2.gz IRONKXTUVWJVBR-ROUUACIJSA-N 1 1 422.570 1.789 20 0 HDADMO C[NH+]1CCN(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1 ZINC000732282016 1075697072 /nfs/dbraw/zinc/69/70/72/1075697072.db2.gz HDKXNGFHEODWPE-UHFFFAOYSA-N 1 1 418.542 1.325 20 0 HDADMO CNC(=O)c1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)c1 ZINC001084992978 1075699249 /nfs/dbraw/zinc/69/92/49/1075699249.db2.gz DEFUKEKWNPKBSL-UBHOZABWSA-N 1 1 409.530 1.892 20 0 HDADMO CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509437682 1075700062 /nfs/dbraw/zinc/70/00/62/1075700062.db2.gz KTXBOGWIBDFSCH-ROUUACIJSA-N 1 1 406.596 1.913 20 0 HDADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000556208088 1075700130 /nfs/dbraw/zinc/70/01/30/1075700130.db2.gz QKFQAJMVTVKBEI-UKRRQHHQSA-N 1 1 415.460 1.817 20 0 HDADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000732292817 1075700904 /nfs/dbraw/zinc/70/09/04/1075700904.db2.gz ACWWPAUHEQBOIF-CQSZACIVSA-N 1 1 408.549 1.902 20 0 HDADMO 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/nfs/dbraw/zinc/01/08/60/722010860.db2.gz DXLSNXKZLPDJSM-HTAPYJJXSA-N 1 1 417.554 1.954 20 0 HDADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]23)cn1 ZINC001164958374 722032232 /nfs/dbraw/zinc/03/22/32/722032232.db2.gz OQUXEUZJXUNYJE-TYPHKJRUSA-N 1 1 424.549 1.681 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164956278 722034870 /nfs/dbraw/zinc/03/48/70/722034870.db2.gz DDVMYWHUXPIBBB-XMSQKQJNSA-N 1 1 407.522 1.156 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CCc4onc(COc5ccccn5)c4C3)n2)CC1 ZINC001164968434 722082936 /nfs/dbraw/zinc/08/29/36/722082936.db2.gz CTLHIQFUBUDSJD-UHFFFAOYSA-N 1 1 407.478 1.753 20 0 HDADMO CS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983823 722136639 /nfs/dbraw/zinc/13/66/39/722136639.db2.gz VKDLUISAJWZZTM-HKUYNNGSSA-N 1 1 402.520 1.607 20 0 HDADMO O=C1CSc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164972090 722156338 /nfs/dbraw/zinc/15/63/38/722156338.db2.gz 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CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429043764 1073458383 /nfs/dbraw/zinc/45/83/83/1073458383.db2.gz BLXFNBIILUDXFD-RYQLBKOJSA-N 1 1 413.609 1.684 20 0 HDADMO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429043764 1073458393 /nfs/dbraw/zinc/45/83/93/1073458393.db2.gz BLXFNBIILUDXFD-RYQLBKOJSA-N 1 1 413.609 1.684 20 0 HDADMO Cc1ccccc1C[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429048082 1073467639 /nfs/dbraw/zinc/46/76/39/1073467639.db2.gz QRPWROFIRQESNN-UHFFFAOYSA-N 1 1 422.489 2.035 20 0 HDADMO CCOCCN1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429051835 1073479646 /nfs/dbraw/zinc/47/96/46/1073479646.db2.gz IXCBYSHLGKNIDA-NRFANRHFSA-N 1 1 404.555 1.641 20 0 HDADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001299281974 1073514966 /nfs/dbraw/zinc/51/49/66/1073514966.db2.gz VOUAQTDANVEDQV-WMZOPIPTSA-N 1 1 412.575 1.983 20 0 HDADMO 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O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000625188466 1073553673 /nfs/dbraw/zinc/55/36/73/1073553673.db2.gz IHWMHFNUELKTTD-SFHVURJKSA-N 1 1 413.526 1.054 20 0 HDADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673653113 1073576437 /nfs/dbraw/zinc/57/64/37/1073576437.db2.gz XRMRHAAREASOTL-QFIPXVFZSA-N 1 1 408.550 1.770 20 0 HDADMO CN(C(=O)c1ccc(F)c(F)c1F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000429105440 1073585032 /nfs/dbraw/zinc/58/50/32/1073585032.db2.gz UHBXSVCKMNZMFU-UHFFFAOYSA-N 1 1 412.456 1.414 20 0 HDADMO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429106124 1073589701 /nfs/dbraw/zinc/58/97/01/1073589701.db2.gz XRBGTIZWPITDSA-SJLPKXTDSA-N 1 1 412.542 1.657 20 0 HDADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429105789 1073591352 /nfs/dbraw/zinc/59/13/52/1073591352.db2.gz VVLIBYUUVSVMGN-AZUAARDMSA-N 1 1 400.571 1.908 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 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YXTKVYZSDBLXNF-QHAWAJNXSA-N 1 1 405.539 1.940 20 0 HDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000766019910 1073650733 /nfs/dbraw/zinc/65/07/33/1073650733.db2.gz NUGIUYJMCOTBHR-IBGZPJMESA-N 1 1 419.501 1.433 20 0 HDADMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713793 1073653586 /nfs/dbraw/zinc/65/35/86/1073653586.db2.gz GCPIZOIWFYKFEK-FGZHOGPDSA-N 1 1 402.583 1.666 20 0 HDADMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713793 1073653592 /nfs/dbraw/zinc/65/35/92/1073653592.db2.gz GCPIZOIWFYKFEK-FGZHOGPDSA-N 1 1 402.583 1.666 20 0 HDADMO CC(C)Cn1c(N)c(C(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000673715472 1073654225 /nfs/dbraw/zinc/65/42/25/1073654225.db2.gz WAFSPFLBYHEUSL-KRWDZBQOSA-N 1 1 413.522 1.576 20 0 HDADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000028726147 1073671617 /nfs/dbraw/zinc/67/16/17/1073671617.db2.gz CDJBWCJTHYAASA-IBGZPJMESA-N 1 1 418.538 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COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000673821313 1073765400 /nfs/dbraw/zinc/76/54/00/1073765400.db2.gz GOWUOYREZNZGNQ-GFCCVEGCSA-N 1 1 407.330 1.847 20 0 HDADMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000673821313 1073765407 /nfs/dbraw/zinc/76/54/07/1073765407.db2.gz GOWUOYREZNZGNQ-GFCCVEGCSA-N 1 1 407.330 1.847 20 0 HDADMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000673824581 1073768263 /nfs/dbraw/zinc/76/82/63/1073768263.db2.gz NOLTZFUIQUBFPQ-QGZVFWFLSA-N 1 1 412.519 1.947 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000673824581 1073768273 /nfs/dbraw/zinc/76/82/73/1073768273.db2.gz NOLTZFUIQUBFPQ-QGZVFWFLSA-N 1 1 412.519 1.947 20 0 HDADMO CNC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cn1C ZINC000673824857 1073771275 /nfs/dbraw/zinc/77/12/75/1073771275.db2.gz RQNAIMIRURVSRL-MRXNPFEDSA-N 1 1 404.536 1.670 20 0 HDADMO CNC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cn1C ZINC000673824857 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/nfs/dbraw/zinc/79/00/79/1073790079.db2.gz OEPNDWYCZQYMFZ-SFTDATJTSA-N 1 1 408.550 1.940 20 0 HDADMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1 ZINC000673830807 1073790085 /nfs/dbraw/zinc/79/00/85/1073790085.db2.gz OEPNDWYCZQYMFZ-SFTDATJTSA-N 1 1 408.550 1.940 20 0 HDADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000673840943 1073806664 /nfs/dbraw/zinc/80/66/64/1073806664.db2.gz SFLKRVNXXPHNHG-SFHVURJKSA-N 1 1 409.458 1.893 20 0 HDADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000673840943 1073806675 /nfs/dbraw/zinc/80/66/75/1073806675.db2.gz SFLKRVNXXPHNHG-SFHVURJKSA-N 1 1 409.458 1.893 20 0 HDADMO COC(=O)c1cccc(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000509162960 1073808455 /nfs/dbraw/zinc/80/84/55/1073808455.db2.gz DMIIZYBYNPUSFZ-SFHVURJKSA-N 1 1 404.511 1.258 20 0 HDADMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000543492970 1073822346 /nfs/dbraw/zinc/82/23/46/1073822346.db2.gz 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CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC000675002348 1074683321 /nfs/dbraw/zinc/68/33/21/1074683321.db2.gz AYJVJHJCSQLESB-JOCHJYFZSA-N 1 1 414.506 1.042 20 0 HDADMO CC(=O)c1cn(CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)nn1 ZINC001128932298 1074693189 /nfs/dbraw/zinc/69/31/89/1074693189.db2.gz RRGNLRRXUKCNJG-UHFFFAOYSA-N 1 1 422.287 1.029 20 0 HDADMO COc1cccc(COC[C@@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000675094268 1074706762 /nfs/dbraw/zinc/70/67/62/1074706762.db2.gz XLLKPODWNSFREP-FQEVSTJZSA-N 1 1 405.539 1.203 20 0 HDADMO COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc12 ZINC000429314328 1074709416 /nfs/dbraw/zinc/70/94/16/1074709416.db2.gz RVMUSMJXXARGIS-OAHLLOKOSA-N 1 1 401.463 1.922 20 0 HDADMO COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc12 ZINC000429314328 1074709424 /nfs/dbraw/zinc/70/94/24/1074709424.db2.gz RVMUSMJXXARGIS-OAHLLOKOSA-N 1 1 401.463 1.922 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1-c1ccccc1Cl ZINC000540742857 1074714567 /nfs/dbraw/zinc/71/45/67/1074714567.db2.gz UTJJBVJCRRNTPJ-UHFFFAOYSA-N 1 1 419.913 1.688 20 0 HDADMO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675103584 1074719893 /nfs/dbraw/zinc/71/98/93/1074719893.db2.gz XPZGRCWBCXGHSJ-IRXDYDNUSA-N 1 1 422.961 1.019 20 0 HDADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448491810 1074725759 /nfs/dbraw/zinc/72/57/59/1074725759.db2.gz WXMDYWYLLVIYPK-UHFFFAOYSA-N 1 1 409.412 1.949 20 0 HDADMO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556206314 1074730594 /nfs/dbraw/zinc/73/05/94/1074730594.db2.gz KYGNIIIUALRHEE-ZDUSSCGKSA-N 1 1 413.444 1.619 20 0 HDADMO CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000675127026 1074731219 /nfs/dbraw/zinc/73/12/19/1074731219.db2.gz YSKALNPUPRTBKE-OXJNMPFZSA-N 1 1 408.502 1.693 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000675127038 1074731275 /nfs/dbraw/zinc/73/12/75/1074731275.db2.gz YXYSGCCBWJNMSC-SJLPKXTDSA-N 1 1 404.474 1.985 20 0 HDADMO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560021951 1074731401 /nfs/dbraw/zinc/73/14/01/1074731401.db2.gz MYOBJSNQYIIZLF-GJZGRUSLSA-N 1 1 413.444 1.762 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1 ZINC000675127933 1074732787 /nfs/dbraw/zinc/73/27/87/1074732787.db2.gz MTLRYUXGMNLROC-LRNSACPNSA-N 1 1 403.523 1.902 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1 ZINC000675127933 1074732795 /nfs/dbraw/zinc/73/27/95/1074732795.db2.gz MTLRYUXGMNLROC-LRNSACPNSA-N 1 1 403.523 1.902 20 0 HDADMO C[NH+](C)CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000675145074 1074743942 /nfs/dbraw/zinc/74/39/42/1074743942.db2.gz ZZLSKPPAUZDPKB-QGZVFWFLSA-N 1 1 403.508 1.411 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)nn1-c1cccc(Cl)c1 ZINC000537440763 1074746536 /nfs/dbraw/zinc/74/65/36/1074746536.db2.gz ZLRWJUMSQFYIOY-UHFFFAOYSA-N 1 1 407.927 1.938 20 0 HDADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000675157999 1074747619 /nfs/dbraw/zinc/74/76/19/1074747619.db2.gz PASMGAVEJGFCJI-QGZVFWFLSA-N 1 1 420.941 1.425 20 0 HDADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000675175496 1074749373 /nfs/dbraw/zinc/74/93/73/1074749373.db2.gz KHJSBUPDTWTNAS-UHFFFAOYSA-N 1 1 421.973 1.720 20 0 HDADMO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cc1 ZINC000675189507 1074752571 /nfs/dbraw/zinc/75/25/71/1074752571.db2.gz KGCLUGKPMRCFNJ-HSALFYBXSA-N 1 1 412.534 1.155 20 0 HDADMO O=C(NCCNc1cnccn1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000482907353 1074755037 /nfs/dbraw/zinc/75/50/37/1074755037.db2.gz ZDOAIOGBLVEQLJ-UHFFFAOYSA-N 1 1 403.918 1.663 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1 ZINC000466668072 1074762130 /nfs/dbraw/zinc/76/21/30/1074762130.db2.gz CIMGLACEVYJRSI-WBVHZDCISA-N 1 1 405.462 1.380 20 0 HDADMO CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675226687 1074766121 /nfs/dbraw/zinc/76/61/21/1074766121.db2.gz VMCJEDTWWWXJHI-LJQANCHMSA-N 1 1 400.502 1.706 20 0 HDADMO CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675226687 1074766134 /nfs/dbraw/zinc/76/61/34/1074766134.db2.gz VMCJEDTWWWXJHI-LJQANCHMSA-N 1 1 400.502 1.706 20 0 HDADMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000675252138 1074769518 /nfs/dbraw/zinc/76/95/18/1074769518.db2.gz SZWBPZYRZGPWEM-ORAYPTAESA-N 1 1 417.535 1.491 20 0 HDADMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000675252138 1074769522 /nfs/dbraw/zinc/76/95/22/1074769522.db2.gz SZWBPZYRZGPWEM-ORAYPTAESA-N 1 1 417.535 1.491 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000429326490 1074777603 /nfs/dbraw/zinc/77/76/03/1074777603.db2.gz IHVJOAZTWVEUCU-ROUUACIJSA-N 1 1 401.555 1.896 20 0 HDADMO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000675254522 1074778859 /nfs/dbraw/zinc/77/88/59/1074778859.db2.gz JVQZCKPHFPEOHB-OALUTQOASA-N 1 1 403.527 1.105 20 0 HDADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000675290925 1074782113 /nfs/dbraw/zinc/78/21/13/1074782113.db2.gz FWORZXXYAVHROR-OALUTQOASA-N 1 1 418.513 1.376 20 0 HDADMO COc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)c(C)c12 ZINC000675281780 1074786596 /nfs/dbraw/zinc/78/65/96/1074786596.db2.gz UBWCAAXHHNISBH-MRXNPFEDSA-N 1 1 401.511 1.459 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000675297510 1074791270 /nfs/dbraw/zinc/79/12/70/1074791270.db2.gz TYQPZRCEISHKDO-SFHVURJKSA-N 1 1 416.547 1.787 20 0 HDADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000477091024 1074791284 /nfs/dbraw/zinc/79/12/84/1074791284.db2.gz AXTLRMIJQNYOGW-QRVBRYPASA-N 1 1 418.582 1.759 20 0 HDADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304899 1074793383 /nfs/dbraw/zinc/79/33/83/1074793383.db2.gz HTKZTVGXKVUBFI-WMZOPIPTSA-N 1 1 420.941 1.942 20 0 HDADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000675317763 1074797780 /nfs/dbraw/zinc/79/77/80/1074797780.db2.gz BAFHFANKJPBFAB-RVKKMQEKSA-N 1 1 420.941 1.798 20 0 HDADMO CCC1(CC)CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000479040783 1074801807 /nfs/dbraw/zinc/80/18/07/1074801807.db2.gz NWSZSCYHJBIMGR-UHFFFAOYSA-N 1 1 400.483 1.934 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000142929924 1074815643 /nfs/dbraw/zinc/81/56/43/1074815643.db2.gz PMKDMJJKQADIAB-MRXNPFEDSA-N 1 1 417.531 1.793 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000142929924 1074815649 /nfs/dbraw/zinc/81/56/49/1074815649.db2.gz PMKDMJJKQADIAB-MRXNPFEDSA-N 1 1 417.531 1.793 20 0 HDADMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000543622517 1074817017 /nfs/dbraw/zinc/81/70/17/1074817017.db2.gz SSALJPITJRSHKA-HNNXBMFYSA-N 1 1 409.490 1.984 20 0 HDADMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000543622518 1074817156 /nfs/dbraw/zinc/81/71/56/1074817156.db2.gz SSALJPITJRSHKA-OAHLLOKOSA-N 1 1 409.490 1.984 20 0 HDADMO COCCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2S1(=O)=O ZINC000766110958 1074819037 /nfs/dbraw/zinc/81/90/37/1074819037.db2.gz VUMXQDDTRKANFA-WBVHZDCISA-N 1 1 421.519 1.034 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000675372900 1075091599 /nfs/dbraw/zinc/09/15/99/1075091599.db2.gz MVWGHXIHZPNJBI-UHFFFAOYSA-N 1 1 414.503 1.044 20 0 HDADMO CSc1nc2nc(C)c(CC(=O)NCCCCN3CC[NH+](C)CC3)c(C)n2n1 ZINC000041349184 1075091649 /nfs/dbraw/zinc/09/16/49/1075091649.db2.gz JPXSGLOHPXCCKQ-UHFFFAOYSA-N 1 1 405.572 1.149 20 0 HDADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000785479155 1075093739 /nfs/dbraw/zinc/09/37/39/1075093739.db2.gz GWYCBGGIIUVDRJ-UHFFFAOYSA-N 1 1 416.909 1.842 20 0 HDADMO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C)cc3-c3ccnn3C)CC2)no1 ZINC000549786930 1075117714 /nfs/dbraw/zinc/11/77/14/1075117714.db2.gz OKSPDRJYHFHNJN-UHFFFAOYSA-N 1 1 408.506 2.448 20 0 HDADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000509331301 1075120898 /nfs/dbraw/zinc/12/08/98/1075120898.db2.gz MBELYLFKUIJBGF-LBPRGKRZSA-N 1 1 419.345 1.386 20 0 HDADMO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)n1 ZINC000675396405 1075123579 /nfs/dbraw/zinc/12/35/79/1075123579.db2.gz HTFKYINXVWOQNG-QGZVFWFLSA-N 1 1 412.538 1.573 20 0 HDADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 ZINC000490388822 1075123839 /nfs/dbraw/zinc/12/38/39/1075123839.db2.gz ZYXCZPRYOOCABX-UHFFFAOYSA-N 1 1 410.400 1.779 20 0 HDADMO CN1C(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2C1=O ZINC000429341254 1075123854 /nfs/dbraw/zinc/12/38/54/1075123854.db2.gz ZGMWSGRWCTWQFI-GOSISDBHSA-N 1 1 407.470 1.933 20 0 HDADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 ZINC000675396994 1075125557 /nfs/dbraw/zinc/12/55/57/1075125557.db2.gz MNOYSMNBPLZELE-GOSISDBHSA-N 1 1 412.538 1.575 20 0 HDADMO CCCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000675402863 1075127840 /nfs/dbraw/zinc/12/78/40/1075127840.db2.gz FDQUFIRKRRBHKK-QGZVFWFLSA-N 1 1 406.502 1.791 20 0 HDADMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)n1 ZINC000675404523 1075129952 /nfs/dbraw/zinc/12/99/52/1075129952.db2.gz SKOCQBGHCQRCFF-SFHVURJKSA-N 1 1 412.538 1.575 20 0 HDADMO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)n1 ZINC000675404522 1075129992 /nfs/dbraw/zinc/12/99/92/1075129992.db2.gz SKOCQBGHCQRCFF-GOSISDBHSA-N 1 1 412.538 1.575 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000466677123 1075137662 /nfs/dbraw/zinc/13/76/62/1075137662.db2.gz CTKYUXKOLYSEDL-CRAIPNDOSA-N 1 1 421.501 1.595 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1F ZINC000429345053 1075146338 /nfs/dbraw/zinc/14/63/38/1075146338.db2.gz BJXVYKVVFUULBB-KBPBESRZSA-N 1 1 424.473 1.037 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1F ZINC000429345053 1075146341 /nfs/dbraw/zinc/14/63/41/1075146341.db2.gz BJXVYKVVFUULBB-KBPBESRZSA-N 1 1 424.473 1.037 20 0 HDADMO CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000143814401 1075147123 /nfs/dbraw/zinc/14/71/23/1075147123.db2.gz HQFYGKCNAPVCHE-GOSISDBHSA-N 1 1 402.495 1.943 20 0 HDADMO CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000143814401 1075147128 /nfs/dbraw/zinc/14/71/28/1075147128.db2.gz HQFYGKCNAPVCHE-GOSISDBHSA-N 1 1 402.495 1.943 20 0 HDADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000670525380 1075147222 /nfs/dbraw/zinc/14/72/22/1075147222.db2.gz KQSCGLBEVKSBDP-LLGFUMIMSA-N 1 1 405.495 1.329 20 0 HDADMO 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C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280812 1075485481 /nfs/dbraw/zinc/48/54/81/1075485481.db2.gz SZVLMQOHGRUTFO-YGRLFVJLSA-N 1 1 407.364 1.541 20 0 HDADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1)C(C)C ZINC000676281793 1075488268 /nfs/dbraw/zinc/48/82/68/1075488268.db2.gz WPJLZMGMEPLGGV-KXBFYZLASA-N 1 1 404.511 1.217 20 0 HDADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1)C(C)C ZINC000676281793 1075488272 /nfs/dbraw/zinc/48/82/72/1075488272.db2.gz WPJLZMGMEPLGGV-KXBFYZLASA-N 1 1 404.511 1.217 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000676281316 1075489118 /nfs/dbraw/zinc/48/91/18/1075489118.db2.gz VTBXYDSRBPWWIA-ZANVPECISA-N 1 1 404.692 1.876 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281316 1075489123 /nfs/dbraw/zinc/48/91/23/1075489123.db2.gz VTBXYDSRBPWWIA-ZANVPECISA-N 1 1 404.692 1.876 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000676282792 1075489564 /nfs/dbraw/zinc/48/95/64/1075489564.db2.gz VQANURXLKJBNHN-JOQOYGCGSA-N 1 1 409.458 1.157 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676282792 1075489567 /nfs/dbraw/zinc/48/95/67/1075489567.db2.gz VQANURXLKJBNHN-JOQOYGCGSA-N 1 1 409.458 1.157 20 0 HDADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000711753903 1075491460 /nfs/dbraw/zinc/49/14/60/1075491460.db2.gz AELRACZNDQWOCR-IEBWSBKVSA-N 1 1 412.577 1.002 20 0 HDADMO COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676288929 1075492822 /nfs/dbraw/zinc/49/28/22/1075492822.db2.gz BGESACNFHKWMKV-SUMWQHHRSA-N 1 1 405.524 1.512 20 0 HDADMO COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676288929 1075492824 /nfs/dbraw/zinc/49/28/24/1075492824.db2.gz BGESACNFHKWMKV-SUMWQHHRSA-N 1 1 405.524 1.512 20 0 HDADMO COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000676288927 1075492833 /nfs/dbraw/zinc/49/28/33/1075492833.db2.gz BGESACNFHKWMKV-DYVFJYSZSA-N 1 1 405.524 1.512 20 0 HDADMO COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000676288927 1075492835 /nfs/dbraw/zinc/49/28/35/1075492835.db2.gz BGESACNFHKWMKV-DYVFJYSZSA-N 1 1 405.524 1.512 20 0 HDADMO C[C@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676307444 1075493096 /nfs/dbraw/zinc/49/30/96/1075493096.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 1 1 403.571 1.165 20 0 HDADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676308502 1075493942 /nfs/dbraw/zinc/49/39/42/1075493942.db2.gz XELUZVLXRRZXBG-IEZWGBDMSA-N 1 1 404.511 1.835 20 0 HDADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676308502 1075493943 /nfs/dbraw/zinc/49/39/43/1075493943.db2.gz XELUZVLXRRZXBG-IEZWGBDMSA-N 1 1 404.511 1.835 20 0 HDADMO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676308534 1075493963 /nfs/dbraw/zinc/49/39/63/1075493963.db2.gz JASOMNWBARKWEV-UHFFFAOYSA-N 1 1 406.490 1.686 20 0 HDADMO Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676289343 1075494978 /nfs/dbraw/zinc/49/49/78/1075494978.db2.gz FPHLTWHYSHCMBZ-BEFAXECRSA-N 1 1 421.519 1.515 20 0 HDADMO Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289343 1075494979 /nfs/dbraw/zinc/49/49/79/1075494979.db2.gz FPHLTWHYSHCMBZ-BEFAXECRSA-N 1 1 421.519 1.515 20 0 HDADMO CC[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)[N@H+]1CCc2ccccc2C1 ZINC000560168289 1075497399 /nfs/dbraw/zinc/49/73/99/1075497399.db2.gz QUMFQJFWPTZCMF-GOSISDBHSA-N 1 1 411.506 2.155 20 0 HDADMO COc1cc2c(cc1OC)CN(CC(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000676294922 1075498147 /nfs/dbraw/zinc/49/81/47/1075498147.db2.gz FGCKTOYFDJSHEY-IBGZPJMESA-N 1 1 403.523 1.385 20 0 HDADMO 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C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303736 1075502355 /nfs/dbraw/zinc/50/23/55/1075502355.db2.gz HZWSQJHJUHWVID-KDOFPFPSSA-N 1 1 422.507 1.599 20 0 HDADMO C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676304321 1075502941 /nfs/dbraw/zinc/50/29/41/1075502941.db2.gz KVIVFLJYRGAWDH-RHSMWYFYSA-N 1 1 400.483 1.740 20 0 HDADMO C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676304321 1075502949 /nfs/dbraw/zinc/50/29/49/1075502949.db2.gz KVIVFLJYRGAWDH-RHSMWYFYSA-N 1 1 400.483 1.740 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676305549 1075503441 /nfs/dbraw/zinc/50/34/41/1075503441.db2.gz QHWHZVAYMDZEBF-BJJXKVORSA-N 1 1 405.417 1.463 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676305549 1075503445 /nfs/dbraw/zinc/50/34/45/1075503445.db2.gz QHWHZVAYMDZEBF-BJJXKVORSA-N 1 1 405.417 1.463 20 0 HDADMO 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COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000509302415 1074667344 /nfs/dbraw/zinc/66/73/44/1074667344.db2.gz SSGPNOIFSKLWAZ-UHFFFAOYSA-N 1 1 410.474 1.509 20 0 HDADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@H](C)O1 ZINC000674994898 1074670335 /nfs/dbraw/zinc/67/03/35/1074670335.db2.gz WWTQJLZMXQFMIP-GJZGRUSLSA-N 1 1 401.467 1.062 20 0 HDADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O ZINC000543611811 1074697272 /nfs/dbraw/zinc/69/72/72/1074697272.db2.gz RZMNAHOIQOFGGF-HKUYNNGSSA-N 1 1 415.538 1.214 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)CCN2C1=O ZINC000675083924 1074699678 /nfs/dbraw/zinc/69/96/78/1074699678.db2.gz DMJIGJXACQTTQS-CVEARBPZSA-N 1 1 407.902 1.621 20 0 HDADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000675086189 1074702112 /nfs/dbraw/zinc/70/21/12/1074702112.db2.gz PQDZUKVVFJQUSS-OGHNNQOOSA-N 1 1 412.893 1.009 20 0 HDADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000675086189 1074702121 /nfs/dbraw/zinc/70/21/21/1074702121.db2.gz PQDZUKVVFJQUSS-OGHNNQOOSA-N 1 1 412.893 1.009 20 0 HDADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101827 1074718014 /nfs/dbraw/zinc/71/80/14/1074718014.db2.gz APXAGMSDHTZARH-CVEARBPZSA-N 1 1 406.962 1.781 20 0 HDADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101827 1074718020 /nfs/dbraw/zinc/71/80/20/1074718020.db2.gz APXAGMSDHTZARH-CVEARBPZSA-N 1 1 406.962 1.781 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000675103082 1074719819 /nfs/dbraw/zinc/71/98/19/1074719819.db2.gz IFGIBCKYMQAVKQ-FCEUIQTBSA-N 1 1 415.582 1.355 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000675103082 1074719824 /nfs/dbraw/zinc/71/98/24/1074719824.db2.gz IFGIBCKYMQAVKQ-FCEUIQTBSA-N 1 1 415.582 1.355 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000428907383 1074723080 /nfs/dbraw/zinc/72/30/80/1074723080.db2.gz QURISNVYWBBQIP-UHFFFAOYSA-N 1 1 419.511 1.841 20 0 HDADMO C[C@@H]([NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)c1cccc(O)c1 ZINC000429318010 1074723948 /nfs/dbraw/zinc/72/39/48/1074723948.db2.gz PRSGKDCWPNLKCM-CQSZACIVSA-N 1 1 408.458 1.417 20 0 HDADMO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2C)C1=O ZINC000675127764 1074733036 /nfs/dbraw/zinc/73/30/36/1074733036.db2.gz ZPDXHUDNYGIATQ-MRXNPFEDSA-N 1 1 413.478 1.018 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000675147308 1074744414 /nfs/dbraw/zinc/74/44/14/1074744414.db2.gz RARIGLAKRFWASQ-DOTOQJQBSA-N 1 1 403.504 1.492 20 0 HDADMO CC(C)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1 ZINC000675176740 1074749452 /nfs/dbraw/zinc/74/94/52/1074749452.db2.gz XHVFDFQYODUCQS-SFHVURJKSA-N 1 1 404.559 1.883 20 0 HDADMO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675189833 1074752249 /nfs/dbraw/zinc/75/22/49/1074752249.db2.gz DCECIUAHWLMGNH-RDJZCZTQSA-N 1 1 408.493 2.000 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000766097530 1074753663 /nfs/dbraw/zinc/75/36/63/1074753663.db2.gz MGBQSUUGHZLJAF-BYLBRLCDSA-N 1 1 424.545 1.732 20 0 HDADMO C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000766096814 1074754111 /nfs/dbraw/zinc/75/41/11/1074754111.db2.gz IFSJRTVCNLDYDM-ILXRZTDVSA-N 1 1 414.959 1.735 20 0 HDADMO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)nn1CCCOc1ccc(F)cc1 ZINC000504030338 1074756354 /nfs/dbraw/zinc/75/63/54/1074756354.db2.gz IYBMOIPDRBASKB-MRXNPFEDSA-N 1 1 417.485 1.806 20 0 HDADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675221280 1074763302 /nfs/dbraw/zinc/76/33/02/1074763302.db2.gz WSPGASAOMMDXLV-MRXNPFEDSA-N 1 1 413.522 1.851 20 0 HDADMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000675252137 1074769310 /nfs/dbraw/zinc/76/93/10/1074769310.db2.gz SZWBPZYRZGPWEM-DJJJIMSYSA-N 1 1 417.535 1.491 20 0 HDADMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000675252137 1074769317 /nfs/dbraw/zinc/76/93/17/1074769317.db2.gz SZWBPZYRZGPWEM-DJJJIMSYSA-N 1 1 417.535 1.491 20 0 HDADMO Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC000675262621 1074773578 /nfs/dbraw/zinc/77/35/78/1074773578.db2.gz GHEFXXQNKDMTRX-GOSISDBHSA-N 1 1 411.506 1.833 20 0 HDADMO Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000675263855 1074773977 /nfs/dbraw/zinc/77/39/77/1074773977.db2.gz PTHCYHLSXIHASU-SFHVURJKSA-N 1 1 410.522 1.358 20 0 HDADMO CCc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1S(=O)(=O)N1CCOCC1 ZINC001128974104 1074774725 /nfs/dbraw/zinc/77/47/25/1074774725.db2.gz CXSIHABXFSRFQZ-LJQANCHMSA-N 1 1 423.579 1.826 20 0 HDADMO Cc1nn(C)cc1[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000675254524 1074778798 /nfs/dbraw/zinc/77/87/98/1074778798.db2.gz JVQZCKPHFPEOHB-RTBURBONSA-N 1 1 403.527 1.105 20 0 HDADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448533883 1074781528 /nfs/dbraw/zinc/78/15/28/1074781528.db2.gz AASSHOYKJPJKRC-ZDUSSCGKSA-N 1 1 413.400 2.320 20 0 HDADMO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCOCC1 ZINC000448534898 1074784661 /nfs/dbraw/zinc/78/46/61/1074784661.db2.gz MTEJNIYQARBKOT-CQSZACIVSA-N 1 1 419.448 1.637 20 0 HDADMO O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675281227 1074785943 /nfs/dbraw/zinc/78/59/43/1074785943.db2.gz PSYWFWDDYCYXRQ-CYBMUJFWSA-N 1 1 402.520 1.751 20 0 HDADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCCCS(C)(=O)=O)C2)cc1 ZINC000675291443 1074788634 /nfs/dbraw/zinc/78/86/34/1074788634.db2.gz QTDDIAVHXGIKLA-QGZVFWFLSA-N 1 1 402.582 1.810 20 0 HDADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCCS(C)(=O)=O)C2)cc1 ZINC000675291443 1074788641 /nfs/dbraw/zinc/78/86/41/1074788641.db2.gz QTDDIAVHXGIKLA-QGZVFWFLSA-N 1 1 402.582 1.810 20 0 HDADMO NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000675327395 1074802981 /nfs/dbraw/zinc/80/29/81/1074802981.db2.gz NDEZXCOZLZDYHU-UHFFFAOYSA-N 1 1 409.486 1.688 20 0 HDADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@@H+]1C ZINC000675338438 1074806050 /nfs/dbraw/zinc/80/60/50/1074806050.db2.gz WXIUYBFKRCZZQG-IRXDYDNUSA-N 1 1 406.914 1.360 20 0 HDADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@H+]1C ZINC000675338438 1074806059 /nfs/dbraw/zinc/80/60/59/1074806059.db2.gz WXIUYBFKRCZZQG-IRXDYDNUSA-N 1 1 406.914 1.360 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]21 ZINC000766112365 1074819237 /nfs/dbraw/zinc/81/92/37/1074819237.db2.gz JLFGTTFIFLJTES-LEWJYISDSA-N 1 1 414.550 1.884 20 0 HDADMO COC(=O)c1cc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1C ZINC000429338562 1075104693 /nfs/dbraw/zinc/10/46/93/1075104693.db2.gz MVQZOBBUFXJVSJ-NRFANRHFSA-N 1 1 400.479 1.912 20 0 HDADMO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)no1 ZINC000431528536 1075113870 /nfs/dbraw/zinc/11/38/70/1075113870.db2.gz NILZJECEMKYPCL-SFHVURJKSA-N 1 1 403.527 1.863 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379838 1075119138 /nfs/dbraw/zinc/11/91/38/1075119138.db2.gz QYNRHHAUYUTYDW-GUYCJALGSA-N 1 1 422.888 1.301 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379837 1075119239 /nfs/dbraw/zinc/11/92/39/1075119239.db2.gz QYNRHHAUYUTYDW-DYVFJYSZSA-N 1 1 422.888 1.301 20 0 HDADMO O=C(NCCc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000670514328 1075119808 /nfs/dbraw/zinc/11/98/08/1075119808.db2.gz TUAMSMSHDWDOFI-MRXNPFEDSA-N 1 1 413.440 1.545 20 0 HDADMO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1 ZINC000675389630 1075122161 /nfs/dbraw/zinc/12/21/61/1075122161.db2.gz XRLWRUOIXQKSRA-QGZVFWFLSA-N 1 1 424.904 1.691 20 0 HDADMO C[C@H](CNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1)CN1CC[NH+](C)CC1 ZINC000675403614 1075128877 /nfs/dbraw/zinc/12/88/77/1075128877.db2.gz NCMGPWXFQFCEMU-QZTJIDSGSA-N 1 1 412.538 1.431 20 0 HDADMO Cc1noc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)n1 ZINC000509334140 1075130098 /nfs/dbraw/zinc/13/00/98/1075130098.db2.gz IXGWANKRLMRNKM-OAHLLOKOSA-N 1 1 400.439 1.180 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000675406067 1075130689 /nfs/dbraw/zinc/13/06/89/1075130689.db2.gz ASCHKROQFFRARC-IRXDYDNUSA-N 1 1 416.522 1.334 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)no1 ZINC000461577668 1075132893 /nfs/dbraw/zinc/13/28/93/1075132893.db2.gz KKIMMYBMBDKWSX-HNNXBMFYSA-N 1 1 410.540 1.804 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000466677124 1075138155 /nfs/dbraw/zinc/13/81/55/1075138155.db2.gz CTKYUXKOLYSEDL-MAUKXSAKSA-N 1 1 421.501 1.595 20 0 HDADMO 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/nfs/dbraw/zinc/54/66/89/1075546689.db2.gz IJMWEIAXEXLUQG-NRFANRHFSA-N 1 1 420.510 1.224 20 0 HDADMO CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000676426332 1075546797 /nfs/dbraw/zinc/54/67/97/1075546797.db2.gz MAZMLFIMJKLJCU-FQEVSTJZSA-N 1 1 416.570 1.182 20 0 HDADMO CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000676426332 1075546800 /nfs/dbraw/zinc/54/68/00/1075546800.db2.gz MAZMLFIMJKLJCU-FQEVSTJZSA-N 1 1 416.570 1.182 20 0 HDADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000731873753 1075548930 /nfs/dbraw/zinc/54/89/30/1075548930.db2.gz ZYPJRDXHBFZIQG-FGZHOGPDSA-N 1 1 424.545 1.886 20 0 HDADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[NH+]2Cc3ccccc3C2)s1 ZINC000676419907 1075549438 /nfs/dbraw/zinc/54/94/38/1075549438.db2.gz XRSOAOYYBBQNEK-UHFFFAOYSA-N 1 1 408.549 1.650 20 0 HDADMO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000731867638 1075558929 /nfs/dbraw/zinc/55/89/29/1075558929.db2.gz YFIWZIZIBRRVET-KRWDZBQOSA-N 1 1 416.975 1.674 20 0 HDADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1 ZINC000731904266 1075563745 /nfs/dbraw/zinc/56/37/45/1075563745.db2.gz FZRNDQJDQKMRAR-UHFFFAOYSA-N 1 1 419.551 1.263 20 0 HDADMO CCOC(=O)C[NH+]1CCC(COC(=O)Cn2cnc3c(C)cccc3c2=O)CC1 ZINC000731919500 1075571277 /nfs/dbraw/zinc/57/12/77/1075571277.db2.gz SVVLDXBSVLDDAY-UHFFFAOYSA-N 1 1 401.463 1.523 20 0 HDADMO C[C@H]1COCCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000676520440 1075576008 /nfs/dbraw/zinc/57/60/08/1075576008.db2.gz WHJHMCFXOBRGGY-KRWDZBQOSA-N 1 1 403.527 1.540 20 0 HDADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000731962688 1075576969 /nfs/dbraw/zinc/57/69/69/1075576969.db2.gz SKKJZQAJOYXGDW-HXUWFJFHSA-N 1 1 400.523 1.939 20 0 HDADMO CCn1c(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2ccccc21 ZINC000731962935 1075577556 /nfs/dbraw/zinc/57/75/56/1075577556.db2.gz FINVCGNFTSNLCH-IBGZPJMESA-N 1 1 413.522 1.386 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000676542128 1075580389 /nfs/dbraw/zinc/58/03/89/1075580389.db2.gz JBIUXZLECKPCNO-VVWQDTPRSA-N 1 1 400.527 1.572 20 0 HDADMO CN(C(=O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439593769 1075585185 /nfs/dbraw/zinc/58/51/85/1075585185.db2.gz HHWGKXXLNQKMBK-MRXNPFEDSA-N 1 1 421.423 2.525 20 0 HDADMO C[N@@H+](CCNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccc(F)cc1 ZINC000676552947 1075586159 /nfs/dbraw/zinc/58/61/59/1075586159.db2.gz OQCYKWOTCBUSQH-UHFFFAOYSA-N 1 1 410.453 1.652 20 0 HDADMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000543679178 1075599757 /nfs/dbraw/zinc/59/97/57/1075599757.db2.gz ARDGUBKZZUATGP-MJGOQNOKSA-N 1 1 407.536 1.091 20 0 HDADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429102927 1075600135 /nfs/dbraw/zinc/60/01/35/1075600135.db2.gz MFPRWYZNDCJQSX-GOEBONIOSA-N 1 1 422.489 2.334 20 0 HDADMO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427010763 1075600160 /nfs/dbraw/zinc/60/01/60/1075600160.db2.gz YJNFDMBZUSDWKA-PKOBYXMFSA-N 1 1 424.549 2.040 20 0 HDADMO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000804178923 1075604776 /nfs/dbraw/zinc/60/47/76/1075604776.db2.gz ZQXFYGNTVBUORP-DOTOQJQBSA-N 1 1 408.543 1.445 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000441126099 1075609140 /nfs/dbraw/zinc/60/91/40/1075609140.db2.gz QRBOPXALSIKLCF-HUUCEWRRSA-N 1 1 405.449 2.208 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000441126099 1075609145 /nfs/dbraw/zinc/60/91/45/1075609145.db2.gz QRBOPXALSIKLCF-HUUCEWRRSA-N 1 1 405.449 2.208 20 0 HDADMO C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000804180739 1075611442 /nfs/dbraw/zinc/61/14/42/1075611442.db2.gz UANFUYDPVIEXKL-JKSUJKDBSA-N 1 1 410.559 1.739 20 0 HDADMO 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CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000732210190 1075667518 /nfs/dbraw/zinc/66/75/18/1075667518.db2.gz DZLNNTGNKSWHDZ-IBGZPJMESA-N 1 1 406.571 1.569 20 0 HDADMO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732211931 1075667957 /nfs/dbraw/zinc/66/79/57/1075667957.db2.gz VJWYZSKGMAQEKK-INIZCTEOSA-N 1 1 416.478 1.583 20 0 HDADMO O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732211931 1075667959 /nfs/dbraw/zinc/66/79/59/1075667959.db2.gz VJWYZSKGMAQEKK-INIZCTEOSA-N 1 1 416.478 1.583 20 0 HDADMO O=C(CC[N@H+]1CCCC[C@H]1CN1CCCC1=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000732211144 1075668437 /nfs/dbraw/zinc/66/84/37/1075668437.db2.gz BATRIZOEZNLLDX-INIZCTEOSA-N 1 1 419.526 1.139 20 0 HDADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000676738588 1075670940 /nfs/dbraw/zinc/67/09/40/1075670940.db2.gz BBINTHOEVYYLNB-APWZRJJASA-N 1 1 407.561 1.967 20 0 HDADMO COCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c(N)n1 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CCN(C1CC1)S(=O)(=O)c1c(C)nn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000534383957 1076247637 /nfs/dbraw/zinc/24/76/37/1076247637.db2.gz DFMQGOZKBVFTCE-SUNYJGFJSA-N 1 1 414.572 1.143 20 0 HDADMO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000534560468 1076248720 /nfs/dbraw/zinc/24/87/20/1076248720.db2.gz ZASFPOOKTZQZBP-RXVVDRJESA-N 1 1 413.566 1.901 20 0 HDADMO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000534560468 1076248725 /nfs/dbraw/zinc/24/87/25/1076248725.db2.gz ZASFPOOKTZQZBP-RXVVDRJESA-N 1 1 413.566 1.901 20 0 HDADMO COCCNS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000534569541 1076249190 /nfs/dbraw/zinc/24/91/90/1076249190.db2.gz MKHZXMOPKQMYRJ-IBGZPJMESA-N 1 1 418.519 1.920 20 0 HDADMO COCCNS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000534569541 1076249192 /nfs/dbraw/zinc/24/91/92/1076249192.db2.gz MKHZXMOPKQMYRJ-IBGZPJMESA-N 1 1 418.519 1.920 20 0 HDADMO C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000733888544 1076250220 /nfs/dbraw/zinc/25/02/20/1076250220.db2.gz GEZDXAJBCYUPKK-IIBYNOLFSA-N 1 1 417.531 1.872 20 0 HDADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000535263523 1076250388 /nfs/dbraw/zinc/25/03/88/1076250388.db2.gz ABFAIEXIQDZOSK-LPHOPBHVSA-N 1 1 420.521 1.827 20 0 HDADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000535263523 1076250396 /nfs/dbraw/zinc/25/03/96/1076250396.db2.gz ABFAIEXIQDZOSK-LPHOPBHVSA-N 1 1 420.521 1.827 20 0 HDADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535281501 1076252288 /nfs/dbraw/zinc/25/22/88/1076252288.db2.gz PVHOBQDLNQDUMC-GOSISDBHSA-N 1 1 417.477 1.167 20 0 HDADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535281501 1076252292 /nfs/dbraw/zinc/25/22/92/1076252292.db2.gz PVHOBQDLNQDUMC-GOSISDBHSA-N 1 1 417.477 1.167 20 0 HDADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000536028087 1076253937 /nfs/dbraw/zinc/25/39/37/1076253937.db2.gz RIOCLZVJHNYFIR-PGRDOPGGSA-N 1 1 407.474 1.727 20 0 HDADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000536028087 1076253939 /nfs/dbraw/zinc/25/39/39/1076253939.db2.gz RIOCLZVJHNYFIR-PGRDOPGGSA-N 1 1 407.474 1.727 20 0 HDADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000536033971 1076254324 /nfs/dbraw/zinc/25/43/24/1076254324.db2.gz BDRDGUSCTLRFLL-LJQANCHMSA-N 1 1 401.488 1.298 20 0 HDADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000536033971 1076254329 /nfs/dbraw/zinc/25/43/29/1076254329.db2.gz BDRDGUSCTLRFLL-LJQANCHMSA-N 1 1 401.488 1.298 20 0 HDADMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536037243 1076254816 /nfs/dbraw/zinc/25/48/16/1076254816.db2.gz VDUKZPPUPAFCTJ-IBGZPJMESA-N 1 1 411.506 1.563 20 0 HDADMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536037243 1076254823 /nfs/dbraw/zinc/25/48/23/1076254823.db2.gz VDUKZPPUPAFCTJ-IBGZPJMESA-N 1 1 411.506 1.563 20 0 HDADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@H](C)O1 ZINC000536859613 1076256881 /nfs/dbraw/zinc/25/68/81/1076256881.db2.gz UDNPAIKZPFOSQZ-RYUDHWBXSA-N 1 1 403.932 1.605 20 0 HDADMO O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000727802411 1076259053 /nfs/dbraw/zinc/25/90/53/1076259053.db2.gz SRDAXJZWPNYABC-CABCVRRESA-N 1 1 407.433 1.863 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2csc3cncn32)cc1 ZINC000733931889 1076268812 /nfs/dbraw/zinc/26/88/12/1076268812.db2.gz JSEAGTCLPGAZKI-UHFFFAOYSA-N 1 1 412.519 1.858 20 0 HDADMO C[N@H+]1CCCN(CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733976376 1076280820 /nfs/dbraw/zinc/28/08/20/1076280820.db2.gz BPMAHPXERCLNOW-PYCFMQQDSA-N 1 1 421.545 1.996 20 0 HDADMO CN1CCC[N@H+](CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 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ZINC000675096214 1074708536 /nfs/dbraw/zinc/70/85/36/1074708536.db2.gz VPTDCLFLKWAFNR-DOTOQJQBSA-N 1 1 419.551 1.638 20 0 HDADMO COC(=O)CCCc1nnc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000532435420 1074709163 /nfs/dbraw/zinc/70/91/63/1074709163.db2.gz OUMDTVURMMZZFV-KGLIPLIRSA-N 1 1 411.528 1.799 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000675098232 1074710093 /nfs/dbraw/zinc/71/00/93/1074710093.db2.gz WHDJTQXCKCITAD-MOPGFXCFSA-N 1 1 413.522 1.229 20 0 HDADMO COC(=O)CCN1CC[C@H](Nc2cc[nH+]c(N[C@@H]3CCCO[C@@H]3C(C)C)n2)C1=O ZINC000485988087 1074714055 /nfs/dbraw/zinc/71/40/55/1074714055.db2.gz XWTALOQTTJBFHG-RVKKMQEKSA-N 1 1 405.499 1.668 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nn1C1CCCCC1 ZINC000565980692 1074714584 /nfs/dbraw/zinc/71/45/84/1074714584.db2.gz DTEFSZYYDZJTRR-QGZVFWFLSA-N 1 1 417.554 2.347 20 0 HDADMO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675103583 1074719914 /nfs/dbraw/zinc/71/99/14/1074719914.db2.gz XPZGRCWBCXGHSJ-IAGOWNOFSA-N 1 1 422.961 1.019 20 0 HDADMO CCN1C(=O)[C@H]2CN(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CCN2C1=O ZINC000675108614 1074723426 /nfs/dbraw/zinc/72/34/26/1074723426.db2.gz BQAHGTRYTTXRRF-RDTXWAMCSA-N 1 1 410.478 1.920 20 0 HDADMO Cc1c(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000675134253 1074727654 /nfs/dbraw/zinc/72/76/54/1074727654.db2.gz DYTXDFINRSKKDB-ROUUACIJSA-N 1 1 410.522 1.728 20 0 HDADMO COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2cccnc12 ZINC000429318960 1074734702 /nfs/dbraw/zinc/73/47/02/1074734702.db2.gz PTIQNHACDLEBOT-CQSZACIVSA-N 1 1 402.451 1.317 20 0 HDADMO COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2cccnc12 ZINC000429318960 1074734707 /nfs/dbraw/zinc/73/47/07/1074734707.db2.gz PTIQNHACDLEBOT-CQSZACIVSA-N 1 1 402.451 1.317 20 0 HDADMO Cc1cc(F)c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1F ZINC000675140085 1074739437 /nfs/dbraw/zinc/73/94/37/1074739437.db2.gz VAMVMZKWSGDCOT-UHFFFAOYSA-N 1 1 409.477 1.964 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000675147313 1074744374 /nfs/dbraw/zinc/74/43/74/1074744374.db2.gz RARIGLAKRFWASQ-NVXWUHKLSA-N 1 1 403.504 1.492 20 0 HDADMO COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)n1 ZINC000537255292 1074748602 /nfs/dbraw/zinc/74/86/02/1074748602.db2.gz SSBUBRJSTPCWTI-QZTJIDSGSA-N 1 1 420.558 1.857 20 0 HDADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000543615591 1074754153 /nfs/dbraw/zinc/75/41/53/1074754153.db2.gz ZVOPCSGIRPBDOE-IAGOWNOFSA-N 1 1 402.543 1.711 20 0 HDADMO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000568809793 1074756164 /nfs/dbraw/zinc/75/61/64/1074756164.db2.gz ADFMQMZBDFSVMA-MRXNPFEDSA-N 1 1 417.416 2.410 20 0 HDADMO CC(C)[C@@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)N1CC[NH+](C)CC1 ZINC000543616638 1074758248 /nfs/dbraw/zinc/75/82/48/1074758248.db2.gz JZKJLYNCVSDIOO-LJQANCHMSA-N 1 1 402.543 1.605 20 0 HDADMO O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218931 1074760587 /nfs/dbraw/zinc/76/05/87/1074760587.db2.gz MIFJHAODFPQOQV-HNNXBMFYSA-N 1 1 416.547 1.660 20 0 HDADMO O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219578 1074762293 /nfs/dbraw/zinc/76/22/93/1074762293.db2.gz ZCYXKQJAHJBDQV-RQJZOYDLSA-N 1 1 404.555 1.578 20 0 HDADMO CC1CCC(N2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)CC1 ZINC000427100266 1074765057 /nfs/dbraw/zinc/76/50/57/1074765057.db2.gz LQQWEZJYQKFJLQ-UHFFFAOYSA-N 1 1 416.570 1.811 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1-c1ccc(F)cc1F ZINC000573244514 1074778667 /nfs/dbraw/zinc/77/86/67/1074778667.db2.gz JFLYTMDYRAXHAM-DOTOQJQBSA-N 1 1 403.433 2.140 20 0 HDADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490374804 1074786849 /nfs/dbraw/zinc/78/68/49/1074786849.db2.gz GBZMRJITKIKQSP-LBPRGKRZSA-N 1 1 422.411 1.825 20 0 HDADMO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000477091022 1074791493 /nfs/dbraw/zinc/79/14/93/1074791493.db2.gz AXTLRMIJQNYOGW-GBESFXJTSA-N 1 1 418.582 1.759 20 0 HDADMO CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000466670439 1074794941 /nfs/dbraw/zinc/79/49/41/1074794941.db2.gz RSPITOLWJFLMSD-IAQYHMDHSA-N 1 1 410.462 1.995 20 0 HDADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444582546 1074797754 /nfs/dbraw/zinc/79/77/54/1074797754.db2.gz PCHAOLXPCVETPS-MRXNPFEDSA-N 1 1 405.449 1.768 20 0 HDADMO C[C@@]1(c2ccccc2)CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310305 1074800978 /nfs/dbraw/zinc/80/09/78/1074800978.db2.gz TZELIWYAMDAKBI-UNMCSNQZSA-N 1 1 402.539 1.350 20 0 HDADMO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000477107821 1074810574 /nfs/dbraw/zinc/81/05/74/1074810574.db2.gz NJTRLIWFHYPLHD-SFHVURJKSA-N 1 1 410.603 1.763 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000766106923 1074812527 /nfs/dbraw/zinc/81/25/27/1074812527.db2.gz GASTWDMPHAKOON-YRPNKDGESA-N 1 1 401.507 1.701 20 0 HDADMO COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2S1(=O)=O ZINC000766110954 1074818626 /nfs/dbraw/zinc/81/86/26/1074818626.db2.gz VUMXQDDTRKANFA-DOTOQJQBSA-N 1 1 421.519 1.034 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]21 ZINC000766112368 1074819333 /nfs/dbraw/zinc/81/93/33/1074819333.db2.gz JLFGTTFIFLJTES-SFTDATJTSA-N 1 1 414.550 1.884 20 0 HDADMO C[NH+]1CCN(CCCCNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000675372964 1075091588 /nfs/dbraw/zinc/09/15/88/1075091588.db2.gz YSKSGDHRJOCDCT-UHFFFAOYSA-N 1 1 400.520 1.519 20 0 HDADMO COc1ccc(C(=O)NCC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000470625786 1075102357 /nfs/dbraw/zinc/10/23/57/1075102357.db2.gz LWRIEXWKSXZOBE-UHFFFAOYSA-N 1 1 424.501 1.380 20 0 HDADMO COCCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000509328344 1075102910 /nfs/dbraw/zinc/10/29/10/1075102910.db2.gz RICPCLXKBJKVNJ-NRFANRHFSA-N 1 1 409.596 1.724 20 0 HDADMO C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000509330866 1075111463 /nfs/dbraw/zinc/11/14/63/1075111463.db2.gz JDSDDCAVOJKXDR-QYZOEREBSA-N 1 1 407.603 1.881 20 0 HDADMO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C)cc3-c3cnn(C)c3)CC2)no1 ZINC000584125845 1075117797 /nfs/dbraw/zinc/11/77/97/1075117797.db2.gz FDLSMKLLBAEWES-UHFFFAOYSA-N 1 1 408.506 2.448 20 0 HDADMO COc1cccc([C@@H](O)C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc2ccccc2)c1 ZINC000766120274 1075123875 /nfs/dbraw/zinc/12/38/75/1075123875.db2.gz LTXNBOZQYNNGMN-UWJYYQICSA-N 1 1 413.518 1.824 20 0 HDADMO COc1cccc([C@@H](O)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc2ccccc2)c1 ZINC000766120274 1075123877 /nfs/dbraw/zinc/12/38/77/1075123877.db2.gz LTXNBOZQYNNGMN-UWJYYQICSA-N 1 1 413.518 1.824 20 0 HDADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396995 1075125629 /nfs/dbraw/zinc/12/56/29/1075125629.db2.gz MNOYSMNBPLZELE-SFHVURJKSA-N 1 1 412.538 1.575 20 0 HDADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc(CNc3ccncn3)c2)CC1 ZINC000543537536 1075126387 /nfs/dbraw/zinc/12/63/87/1075126387.db2.gz AIBCZGDZOBCSNM-UHFFFAOYSA-N 1 1 410.522 1.809 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)C1 ZINC000675401499 1075127074 /nfs/dbraw/zinc/12/70/74/1075127074.db2.gz AQWPSBCEEPYWSR-ROUUACIJSA-N 1 1 416.522 1.031 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466676529 1075129583 /nfs/dbraw/zinc/12/95/83/1075129583.db2.gz AYWZQJJLUYTNEZ-CRAIPNDOSA-N 1 1 405.462 1.380 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)no1 ZINC000461577669 1075134100 /nfs/dbraw/zinc/13/41/00/1075134100.db2.gz KKIMMYBMBDKWSX-OAHLLOKOSA-N 1 1 410.540 1.804 20 0 HDADMO COCCCn1ccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000444520031 1075143229 /nfs/dbraw/zinc/14/32/29/1075143229.db2.gz OBYQKAQRXLSZGI-LJQANCHMSA-N 1 1 413.522 1.839 20 0 HDADMO CCN1CCN(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)[C@H](C)C1=O ZINC000429345103 1075145185 /nfs/dbraw/zinc/14/51/85/1075145185.db2.gz LYVRPIYTSSBIIP-QGZVFWFLSA-N 1 1 415.538 1.478 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1F ZINC000429345056 1075146126 /nfs/dbraw/zinc/14/61/26/1075146126.db2.gz BJXVYKVVFUULBB-ZIAGYGMSSA-N 1 1 424.473 1.037 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1F ZINC000429345056 1075146130 /nfs/dbraw/zinc/14/61/30/1075146130.db2.gz BJXVYKVVFUULBB-ZIAGYGMSSA-N 1 1 424.473 1.037 20 0 HDADMO O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000429348399 1075160035 /nfs/dbraw/zinc/16/00/35/1075160035.db2.gz JSSMICQWHFHXCV-MOPGFXCFSA-N 1 1 423.517 1.924 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@H+]1Cc1ccccc1 ZINC000466680581 1075161871 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HDADMO O=C(COC(=O)COc1ccc(O)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000733828109 1076220370 /nfs/dbraw/zinc/22/03/70/1076220370.db2.gz LOSUYHLFOIRYQG-UHFFFAOYSA-N 1 1 406.479 1.466 20 0 HDADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727754937 1076229287 /nfs/dbraw/zinc/22/92/87/1076229287.db2.gz KQGSROYHHNYLOQ-IBGZPJMESA-N 1 1 400.504 1.281 20 0 HDADMO C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000530965095 1076236916 /nfs/dbraw/zinc/23/69/16/1076236916.db2.gz DDXZOLQDBNAJHN-IEBWSBKVSA-N 1 1 400.523 1.588 20 0 HDADMO C[C@@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000530965095 1076236922 /nfs/dbraw/zinc/23/69/22/1076236922.db2.gz DDXZOLQDBNAJHN-IEBWSBKVSA-N 1 1 400.523 1.588 20 0 HDADMO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000733882210 1076238571 /nfs/dbraw/zinc/23/85/71/1076238571.db2.gz FKDFKJTXUZPKPD-INIZCTEOSA-N 1 1 402.568 1.542 20 0 HDADMO 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/nfs/dbraw/zinc/25/43/83/1076254383.db2.gz FMDSEGVFDNHSFX-GFCCVEGCSA-N 1 1 406.372 1.629 20 0 HDADMO Cc1nc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000536031680 1076254387 /nfs/dbraw/zinc/25/43/87/1076254387.db2.gz FMDSEGVFDNHSFX-GFCCVEGCSA-N 1 1 406.372 1.629 20 0 HDADMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000144331873 1076256824 /nfs/dbraw/zinc/25/68/24/1076256824.db2.gz BTLZHHSCMLJPQY-LSDHHAIUSA-N 1 1 402.944 1.977 20 0 HDADMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000144331873 1076256828 /nfs/dbraw/zinc/25/68/28/1076256828.db2.gz BTLZHHSCMLJPQY-LSDHHAIUSA-N 1 1 402.944 1.977 20 0 HDADMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000733898291 1076259072 /nfs/dbraw/zinc/25/90/72/1076259072.db2.gz HWBKUMGXDMWLHC-KRWDZBQOSA-N 1 1 404.515 1.111 20 0 HDADMO CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000727805984 1076259242 /nfs/dbraw/zinc/25/92/42/1076259242.db2.gz HIUSJOXIAUHWSC-ZBWUASRJSA-N 1 1 412.534 1.732 20 0 HDADMO CCCOC(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000727834847 1076265229 /nfs/dbraw/zinc/26/52/29/1076265229.db2.gz CMZVLYWMIHXDKG-SFHVURJKSA-N 1 1 423.535 1.356 20 0 HDADMO CCCOC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000727834847 1076265232 /nfs/dbraw/zinc/26/52/32/1076265232.db2.gz CMZVLYWMIHXDKG-SFHVURJKSA-N 1 1 423.535 1.356 20 0 HDADMO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000727836271 1076265489 /nfs/dbraw/zinc/26/54/89/1076265489.db2.gz LREPOGUDAOAVHA-JTQLQIEISA-N 1 1 405.314 1.997 20 0 HDADMO CC(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C(=O)N3CCOCC3)C1)C2=O ZINC000727817884 1076267180 /nfs/dbraw/zinc/26/71/80/1076267180.db2.gz SINQSDMAGSSVNF-DKTYTTGXSA-N 1 1 420.554 1.652 20 0 HDADMO CC(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C(=O)N3CCOCC3)C1)C2=O ZINC000727817884 1076267185 /nfs/dbraw/zinc/26/71/85/1076267185.db2.gz SINQSDMAGSSVNF-DKTYTTGXSA-N 1 1 420.554 1.652 20 0 HDADMO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000733975810 1076280134 /nfs/dbraw/zinc/28/01/34/1076280134.db2.gz PCMPQMNEPZEMKF-INIZCTEOSA-N 1 1 400.589 1.830 20 0 HDADMO CC(C)NS(=O)(=O)c1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccc1F ZINC000733976419 1076280875 /nfs/dbraw/zinc/28/08/75/1076280875.db2.gz PLQPBRNBGCYQHH-HNNXBMFYSA-N 1 1 414.547 1.126 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCOc1cccnc1 ZINC000734062177 1076300265 /nfs/dbraw/zinc/30/02/65/1076300265.db2.gz CSGGLORIDKOKSD-UHFFFAOYSA-N 1 1 413.478 1.678 20 0 HDADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001083147727 1076304287 /nfs/dbraw/zinc/30/42/87/1076304287.db2.gz AZDCWZOOVSKTSY-ZVSFZBDESA-N 1 1 412.486 1.293 20 0 HDADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001083147727 1076304290 /nfs/dbraw/zinc/30/42/90/1076304290.db2.gz AZDCWZOOVSKTSY-ZVSFZBDESA-N 1 1 412.486 1.293 20 0 HDADMO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000734106372 1076308455 /nfs/dbraw/zinc/30/84/55/1076308455.db2.gz WOOLHGPXBGNCEX-QGZVFWFLSA-N 1 1 400.504 1.265 20 0 HDADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000734106372 1076308461 /nfs/dbraw/zinc/30/84/61/1076308461.db2.gz WOOLHGPXBGNCEX-QGZVFWFLSA-N 1 1 400.504 1.265 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)cn1 ZINC000728068236 1076316223 /nfs/dbraw/zinc/31/62/23/1076316223.db2.gz HJMUYHRWQQVGJI-UHFFFAOYSA-N 1 1 403.446 1.888 20 0 HDADMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C ZINC000728053422 1076320884 /nfs/dbraw/zinc/32/08/84/1076320884.db2.gz JYIZPPVQVQBMTF-DLBZAZTESA-N 1 1 414.506 1.896 20 0 HDADMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053053 1076321376 /nfs/dbraw/zinc/32/13/76/1076321376.db2.gz GKRIDEQAWHWFSK-NQIIRXRSSA-N 1 1 417.550 1.608 20 0 HDADMO CCOC(=O)C1C(CN2CC[NH+](CC(C)(C)O)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000728054545 1076321924 /nfs/dbraw/zinc/32/19/24/1076321924.db2.gz IOUJDVQUPDULEN-LJQANCHMSA-N 1 1 416.522 1.246 20 0 HDADMO COc1ccc(CN2CCCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728054120 1076322238 /nfs/dbraw/zinc/32/22/38/1076322238.db2.gz VMNMTWVOBPBPKX-FQEVSTJZSA-N 1 1 417.550 1.814 20 0 HDADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000728070177 1076332330 /nfs/dbraw/zinc/33/23/30/1076332330.db2.gz FIDSRZPNHOAPSD-DBPMXWMLSA-N 1 1 408.568 1.185 20 0 HDADMO Cc1cc(=O)oc2cc(OCC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000728072824 1076332587 /nfs/dbraw/zinc/33/25/87/1076332587.db2.gz JQDLGWOVWJJLSH-GOSISDBHSA-N 1 1 415.490 1.539 20 0 HDADMO CCCc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 ZINC000728077931 1076334130 /nfs/dbraw/zinc/33/41/30/1076334130.db2.gz REZSNTXNVXXXSQ-MOPGFXCFSA-N 1 1 414.550 1.696 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000728077451 1076334452 /nfs/dbraw/zinc/33/44/52/1076334452.db2.gz JAKFHKWFJMIILN-SJORKVTESA-N 1 1 420.941 1.392 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(Br)cnc2Cl)C1 ZINC000728078230 1076334686 /nfs/dbraw/zinc/33/46/86/1076334686.db2.gz VMWKPRSXVYRTGC-JTQLQIEISA-N 1 1 403.708 1.815 20 0 HDADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000728142044 1076342085 /nfs/dbraw/zinc/34/20/85/1076342085.db2.gz JHXUZWYWUIEVMK-UHFFFAOYSA-N 1 1 406.502 1.934 20 0 HDADMO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)no1 ZINC000028802398 1076361911 /nfs/dbraw/zinc/36/19/11/1076361911.db2.gz WXAWSQRTNTXFQT-QGZVFWFLSA-N 1 1 422.913 1.770 20 0 HDADMO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3cccc(C)c3)C2=O)c1 ZINC000728173089 1076364292 /nfs/dbraw/zinc/36/42/92/1076364292.db2.gz PFDOLSDERZVAIB-QFIPXVFZSA-N 1 1 410.474 1.934 20 0 HDADMO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3cccc(C)c3)C2=O)c1 ZINC000728173089 1076364301 /nfs/dbraw/zinc/36/43/01/1076364301.db2.gz PFDOLSDERZVAIB-QFIPXVFZSA-N 1 1 410.474 1.934 20 0 HDADMO CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)C1CCCCC1 ZINC001084532844 1076369728 /nfs/dbraw/zinc/36/97/28/1076369728.db2.gz RIMDRZCBLROVAO-LFTGHYRXSA-N 1 1 401.551 1.734 20 0 HDADMO CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)C1CCCCC1 ZINC001084532844 1076369737 /nfs/dbraw/zinc/36/97/37/1076369737.db2.gz RIMDRZCBLROVAO-LFTGHYRXSA-N 1 1 401.551 1.734 20 0 HDADMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000729979237 1076404131 /nfs/dbraw/zinc/40/41/31/1076404131.db2.gz CHWXPLYVKYQYKL-HNNXBMFYSA-N 1 1 415.531 1.743 20 0 HDADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)C1 ZINC000729980038 1076405090 /nfs/dbraw/zinc/40/50/90/1076405090.db2.gz KMPDMXFZNIMRNY-HNNXBMFYSA-N 1 1 415.531 1.695 20 0 HDADMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1 ZINC000730088182 1076443864 /nfs/dbraw/zinc/44/38/64/1076443864.db2.gz XEZUMCLVHIAWHN-UHFFFAOYSA-N 1 1 422.485 1.620 20 0 HDADMO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000730095677 1076449058 /nfs/dbraw/zinc/44/90/58/1076449058.db2.gz BHEHXNDSTMIIPT-UHFFFAOYSA-N 1 1 407.518 1.808 20 0 HDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217913 1076479668 /nfs/dbraw/zinc/47/96/68/1076479668.db2.gz ZMCQMOVVTQORDW-QAPCUYQASA-N 1 1 404.486 1.238 20 0 HDADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000730227298 1076485056 /nfs/dbraw/zinc/48/50/56/1076485056.db2.gz AQAWYECSJVCHPS-AWEZNQCLSA-N 1 1 417.579 1.960 20 0 HDADMO CCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000730251690 1076497636 /nfs/dbraw/zinc/49/76/36/1076497636.db2.gz HUZUKYODTAXJEL-QFIPXVFZSA-N 1 1 416.522 1.744 20 0 HDADMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000730263522 1076505359 /nfs/dbraw/zinc/50/53/59/1076505359.db2.gz WOPFLLPUMNJRRB-OAHLLOKOSA-N 1 1 422.551 1.632 20 0 HDADMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000730263522 1076505370 /nfs/dbraw/zinc/50/53/70/1076505370.db2.gz WOPFLLPUMNJRRB-OAHLLOKOSA-N 1 1 422.551 1.632 20 0 HDADMO C[NH+]1CCN(CCCCNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000730273732 1076517214 /nfs/dbraw/zinc/51/72/14/1076517214.db2.gz WBIKSKQJRYXSPD-GOSISDBHSA-N 1 1 411.591 1.960 20 0 HDADMO COc1cccc([C@@H]2C[C@@H]2C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000730350224 1076548623 /nfs/dbraw/zinc/54/86/23/1076548623.db2.gz XPEIXZGIYZZFPE-UFYCRDLUSA-N 1 1 404.507 1.815 20 0 HDADMO COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000730576068 1076608310 /nfs/dbraw/zinc/60/83/10/1076608310.db2.gz YSADFKKNUHJJSP-MRXNPFEDSA-N 1 1 413.515 1.403 20 0 HDADMO COC(=O)NCCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000730753854 1076647101 /nfs/dbraw/zinc/64/71/01/1076647101.db2.gz XJVXSAOQVWCJTP-UHFFFAOYSA-N 1 1 412.512 1.088 20 0 HDADMO COC(=O)NCCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000730753854 1076647109 /nfs/dbraw/zinc/64/71/09/1076647109.db2.gz XJVXSAOQVWCJTP-UHFFFAOYSA-N 1 1 412.512 1.088 20 0 HDADMO C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000730804616 1076655764 /nfs/dbraw/zinc/65/57/64/1076655764.db2.gz WIBXUUSYFWTXOE-IERDGZPVSA-N 1 1 403.479 1.974 20 0 HDADMO C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000730804616 1076655771 /nfs/dbraw/zinc/65/57/71/1076655771.db2.gz WIBXUUSYFWTXOE-IERDGZPVSA-N 1 1 403.479 1.974 20 0 HDADMO C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C[C@@H]1CCCOC1 ZINC000730808097 1076665875 /nfs/dbraw/zinc/66/58/75/1076665875.db2.gz BEKBKZNQGVVCNI-UWJYYQICSA-N 1 1 402.495 1.319 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC000730841772 1076671070 /nfs/dbraw/zinc/67/10/70/1076671070.db2.gz MPODXQZMDYOCBV-FGTMMUONSA-N 1 1 422.570 1.835 20 0 HDADMO COC(=O)CCCNC(=S)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730949327 1076700030 /nfs/dbraw/zinc/70/00/30/1076700030.db2.gz CPSLAUNGOCNOIM-KRWDZBQOSA-N 1 1 406.552 1.301 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CSc3cccc[n+]3[O-])c2)C1 ZINC000731008765 1076709700 /nfs/dbraw/zinc/70/97/00/1076709700.db2.gz QYLMEFHLQTZITE-GOSISDBHSA-N 1 1 414.531 1.426 20 0 HDADMO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000731038177 1076716175 /nfs/dbraw/zinc/71/61/75/1076716175.db2.gz CDUBHEMPTUZXMI-LLVKDONJSA-N 1 1 405.314 1.856 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(C(N)=S)cc3)c2)C1 ZINC000731059404 1076720368 /nfs/dbraw/zinc/72/03/68/1076720368.db2.gz VIFMQUZCIVRDJZ-LJQANCHMSA-N 1 1 410.543 1.948 20 0 HDADMO 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/nfs/dbraw/zinc/55/46/49/1074554649.db2.gz AYBXNAUHDJNBPA-RHSMWYFYSA-N 1 1 405.524 1.965 20 0 HDADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000674764895 1074559592 /nfs/dbraw/zinc/55/95/92/1074559592.db2.gz MGLUFQGVQHTWSS-SFHVURJKSA-N 1 1 419.489 1.629 20 0 HDADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674786011 1074565618 /nfs/dbraw/zinc/56/56/18/1074565618.db2.gz PRHBPNQVXXQHEC-AEFFLSMTSA-N 1 1 419.551 1.115 20 0 HDADMO C[N@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000674828233 1074587016 /nfs/dbraw/zinc/58/70/16/1074587016.db2.gz YRQNMQBMYXUMSK-KRWDZBQOSA-N 1 1 409.552 1.639 20 0 HDADMO COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000674922680 1074623061 /nfs/dbraw/zinc/62/30/61/1074623061.db2.gz PUDGCXXZQDEJMM-RTWAWAEBSA-N 1 1 421.538 1.733 20 0 HDADMO COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O ZINC000674926512 1074624207 /nfs/dbraw/zinc/62/42/07/1074624207.db2.gz BSVIFQVWWLYLDN-WMZOPIPTSA-N 1 1 415.538 1.268 20 0 HDADMO COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000674926512 1074624215 /nfs/dbraw/zinc/62/42/15/1074624215.db2.gz BSVIFQVWWLYLDN-WMZOPIPTSA-N 1 1 415.538 1.268 20 0 HDADMO C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000674928127 1074625641 /nfs/dbraw/zinc/62/56/41/1074625641.db2.gz VNKAHZAYZNZCTN-VMXMFDLUSA-N 1 1 403.523 1.865 20 0 HDADMO C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000674928127 1074625648 /nfs/dbraw/zinc/62/56/48/1074625648.db2.gz VNKAHZAYZNZCTN-VMXMFDLUSA-N 1 1 403.523 1.865 20 0 HDADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674916894 1074627393 /nfs/dbraw/zinc/62/73/93/1074627393.db2.gz GXAMURUBFUDOHN-FGZHOGPDSA-N 1 1 416.566 1.784 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(OCCCO)CC1 ZINC000674982409 1074658441 /nfs/dbraw/zinc/65/84/41/1074658441.db2.gz COQNBPLNTRUDNZ-IBGZPJMESA-N 1 1 404.555 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/nfs/dbraw/zinc/73/49/82/1074734982.db2.gz ZSTXXUFEUBXGND-VQTJNVASSA-N 1 1 423.517 1.969 20 0 HDADMO CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000447426792 1074739575 /nfs/dbraw/zinc/73/95/75/1074739575.db2.gz NOBUHPUKMHJEAM-UHFFFAOYSA-N 1 1 418.929 2.157 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)nn1-c1ccc(F)cc1F ZINC000554763509 1074746377 /nfs/dbraw/zinc/74/63/77/1074746377.db2.gz BOWOJFMKTPQMMQ-UHFFFAOYSA-N 1 1 403.433 2.166 20 0 HDADMO Cc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c(O[C@H]2CCOC2)c1 ZINC000675176061 1074748970 /nfs/dbraw/zinc/74/89/70/1074748970.db2.gz RBPHJVDWUBCBSV-IBGZPJMESA-N 1 1 404.555 1.988 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@H]21 ZINC000766096753 1074750234 /nfs/dbraw/zinc/75/02/34/1074750234.db2.gz HDAJISIPRZWPBB-GOEBONIOSA-N 1 1 422.482 1.739 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@@H]21 ZINC000766096754 1074750261 /nfs/dbraw/zinc/75/02/61/1074750261.db2.gz HDAJISIPRZWPBB-HOCLYGCPSA-N 1 1 422.482 1.739 20 0 HDADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000429244639 1074751863 /nfs/dbraw/zinc/75/18/63/1074751863.db2.gz HEYPQHICCVMDND-SFHVURJKSA-N 1 1 409.552 1.131 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000766097532 1074753607 /nfs/dbraw/zinc/75/36/07/1074753607.db2.gz MGBQSUUGHZLJAF-NYILCQPWSA-N 1 1 424.545 1.732 20 0 HDADMO Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000766096418 1074754380 /nfs/dbraw/zinc/75/43/80/1074754380.db2.gz SYAOCCJRENBZAB-AWEZNQCLSA-N 1 1 410.316 1.923 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCCc3ccc4c(c3)OCCO4)CC2)C1 ZINC000675201807 1074756398 /nfs/dbraw/zinc/75/63/98/1074756398.db2.gz NHOSXEXSTLGVEL-IBGZPJMESA-N 1 1 402.539 1.812 20 0 HDADMO Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2)n1 ZINC000675209541 1074758455 /nfs/dbraw/zinc/75/84/55/1074758455.db2.gz DZLLHHFDUCQUSE-LJQANCHMSA-N 1 1 411.506 1.827 20 0 HDADMO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219310 1074762654 /nfs/dbraw/zinc/76/26/54/1074762654.db2.gz NMSIDTWPSNOWMY-INIZCTEOSA-N 1 1 410.312 1.502 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@H]21 ZINC000766098467 1074764902 /nfs/dbraw/zinc/76/49/02/1074764902.db2.gz QZTICIXHHQPZLW-WMLDXEAASA-N 1 1 403.504 1.550 20 0 HDADMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000675250940 1074769375 /nfs/dbraw/zinc/76/93/75/1074769375.db2.gz ATXDVRGOHLXFRG-GOSISDBHSA-N 1 1 403.508 1.102 20 0 HDADMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000675250940 1074769384 /nfs/dbraw/zinc/76/93/84/1074769384.db2.gz ATXDVRGOHLXFRG-GOSISDBHSA-N 1 1 403.508 1.102 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1-c1ccc(F)cc1F ZINC000573244517 1074771652 /nfs/dbraw/zinc/77/16/52/1074771652.db2.gz JFLYTMDYRAXHAM-WBVHZDCISA-N 1 1 403.433 2.140 20 0 HDADMO CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000675274035 1074782828 /nfs/dbraw/zinc/78/28/28/1074782828.db2.gz YIZZBYULTTWASN-LJQANCHMSA-N 1 1 422.595 1.964 20 0 HDADMO CCC(CC)[C@@H](CNC(=O)Nc1ccc(-c2cnn(C)c2)nn1)[NH+]1CCOCC1 ZINC000433664780 1074784747 /nfs/dbraw/zinc/78/47/47/1074784747.db2.gz QEYFHTLRDDVWCW-GOSISDBHSA-N 1 1 401.515 2.136 20 0 HDADMO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000675324527 1074799899 /nfs/dbraw/zinc/79/98/99/1074799899.db2.gz FXSOADSIXZTBQS-UHFFFAOYSA-N 1 1 401.488 1.794 20 0 HDADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000675363738 1074813805 /nfs/dbraw/zinc/81/38/05/1074813805.db2.gz PLGLBRNLBSHIFL-ABAIWWIYSA-N 1 1 413.305 1.425 20 0 HDADMO C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000675366873 1074818124 /nfs/dbraw/zinc/81/81/24/1074818124.db2.gz DTXZGHSGXNKWCL-DLBZAZTESA-N 1 1 424.567 1.949 20 0 HDADMO 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MPEDNRACZFXGSY-UHFFFAOYSA-N 1 1 422.551 1.505 20 0 HDADMO Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000766086141 1074659005 /nfs/dbraw/zinc/65/90/05/1074659005.db2.gz ZCOGNTRXBMRLKN-SFHVURJKSA-N 1 1 415.494 1.722 20 0 HDADMO CC(C)c1cc(NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000437730671 1074663835 /nfs/dbraw/zinc/66/38/35/1074663835.db2.gz CNVUYZLUAFUITG-UHFFFAOYSA-N 1 1 413.478 1.692 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429308951 1074668965 /nfs/dbraw/zinc/66/89/65/1074668965.db2.gz MDEWUKNKJZLXSM-LNLFQRSKSA-N 1 1 418.538 1.606 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000429309007 1074668991 /nfs/dbraw/zinc/66/89/91/1074668991.db2.gz MHUJIQMZFXTCOS-CABCVRRESA-N 1 1 410.540 1.074 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@H](C)O1 ZINC000674994896 1074670386 /nfs/dbraw/zinc/67/03/86/1074670386.db2.gz WWTQJLZMXQFMIP-GASCZTMLSA-N 1 1 401.467 1.062 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)Nc2cnn(CCO)c2)C[C@H](C)O1 ZINC000674994896 1074670399 /nfs/dbraw/zinc/67/03/99/1074670399.db2.gz WWTQJLZMXQFMIP-GASCZTMLSA-N 1 1 401.467 1.062 20 0 HDADMO COc1ccccc1N1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000675003206 1074685001 /nfs/dbraw/zinc/68/50/01/1074685001.db2.gz DDIOMKFVEQEGPE-IAGOWNOFSA-N 1 1 402.495 1.307 20 0 HDADMO CC(C)(C)N1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O ZINC000429311829 1074685767 /nfs/dbraw/zinc/68/57/67/1074685767.db2.gz RPQVRIUIGGXYEC-AWEZNQCLSA-N 1 1 408.465 1.682 20 0 HDADMO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000675041892 1074698776 /nfs/dbraw/zinc/69/87/76/1074698776.db2.gz CUJDDVHOXNXMNB-RDJZCZTQSA-N 1 1 409.552 1.650 20 0 HDADMO CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001034323121 1074698834 /nfs/dbraw/zinc/69/88/34/1074698834.db2.gz GYRYQGFDYGOYNK-PITCONLNSA-N 1 1 402.543 1.365 20 0 HDADMO COC(=O)COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc12 ZINC000429314325 1074709481 /nfs/dbraw/zinc/70/94/81/1074709481.db2.gz RVMUSMJXXARGIS-HNNXBMFYSA-N 1 1 401.463 1.922 20 0 HDADMO COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc12 ZINC000429314325 1074709487 /nfs/dbraw/zinc/70/94/87/1074709487.db2.gz RVMUSMJXXARGIS-HNNXBMFYSA-N 1 1 401.463 1.922 20 0 HDADMO CCn1c(=O)c(C(=O)C[NH2+][C@H](C)c2cccc(O)c2)c(N)n(Cc2ccccc2)c1=O ZINC000429314125 1074712138 /nfs/dbraw/zinc/71/21/38/1074712138.db2.gz HMCMBNSWERFOGE-OAHLLOKOSA-N 1 1 422.485 1.900 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4C)c(F)c3)CCN2C1=O ZINC000675093445 1074716731 /nfs/dbraw/zinc/71/67/31/1074716731.db2.gz MYFBGSXYZHSHPY-KRWDZBQOSA-N 1 1 414.441 1.498 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000675103081 1074719876 /nfs/dbraw/zinc/71/98/76/1074719876.db2.gz IFGIBCKYMQAVKQ-CEMLEFRQSA-N 1 1 415.582 1.355 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000675103081 1074719879 /nfs/dbraw/zinc/71/98/79/1074719879.db2.gz IFGIBCKYMQAVKQ-CEMLEFRQSA-N 1 1 415.582 1.355 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000467469227 1074728601 /nfs/dbraw/zinc/72/86/01/1074728601.db2.gz MUBDGHBTCOWWCE-HIFRSBDPSA-N 1 1 403.508 2.428 20 0 HDADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O ZINC000543615386 1074734916 /nfs/dbraw/zinc/73/49/16/1074734916.db2.gz ZSTXXUFEUBXGND-UXHICEINSA-N 1 1 423.517 1.969 20 0 HDADMO Cc1cnn(-c2ccc(S(=O)(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2F)c1 ZINC000675130676 1074736229 /nfs/dbraw/zinc/73/62/29/1074736229.db2.gz RSPIKQNQKJFMBB-KRWDZBQOSA-N 1 1 421.542 1.720 20 0 HDADMO C[NH+](C)CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000675145073 1074743986 /nfs/dbraw/zinc/74/39/86/1074743986.db2.gz ZZLSKPPAUZDPKB-KRWDZBQOSA-N 1 1 403.508 1.411 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)nn1-c1ccccc1Cl ZINC000539594382 1074744359 /nfs/dbraw/zinc/74/43/59/1074744359.db2.gz PZRHDBWGROGJDY-UHFFFAOYSA-N 1 1 405.886 1.611 20 0 HDADMO Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000675188287 1074751974 /nfs/dbraw/zinc/75/19/74/1074751974.db2.gz JJKLZSFFYMNHMF-IEBWSBKVSA-N 1 1 408.506 1.447 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000766097531 1074753549 /nfs/dbraw/zinc/75/35/49/1074753549.db2.gz MGBQSUUGHZLJAF-CYKHJPMSSA-N 1 1 424.545 1.732 20 0 HDADMO O=C(NCCNc1cnccn1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000554966355 1074754852 /nfs/dbraw/zinc/75/48/52/1074754852.db2.gz SCNVCNCZSOHZFY-UHFFFAOYSA-N 1 1 421.505 2.507 20 0 HDADMO CN(CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000766096070 1074755004 /nfs/dbraw/zinc/75/50/04/1074755004.db2.gz GDOQJRUAHIAENQ-SJLPKXTDSA-N 1 1 418.563 1.790 20 0 HDADMO Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c2)n1 ZINC000675209540 1074758385 /nfs/dbraw/zinc/75/83/85/1074758385.db2.gz DZLLHHFDUCQUSE-IBGZPJMESA-N 1 1 411.506 1.827 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(C)(C)c2cc(C(F)(F)F)on2)C1 ZINC000429244261 1074763532 /nfs/dbraw/zinc/76/35/32/1074763532.db2.gz JQEWCYBCUGPMII-CYBMUJFWSA-N 1 1 406.449 1.991 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCCS3)cc2)CC1 ZINC000675210457 1074763854 /nfs/dbraw/zinc/76/38/54/1074763854.db2.gz IUUQYXIIBIAGLH-OAQYLSRUSA-N 1 1 418.563 1.805 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1C ZINC000439454360 1074778285 /nfs/dbraw/zinc/77/82/85/1074778285.db2.gz MYAQDKYVFIRFJR-HNNXBMFYSA-N 1 1 409.412 2.077 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1C ZINC000439454360 1074778296 /nfs/dbraw/zinc/77/82/96/1074778296.db2.gz MYAQDKYVFIRFJR-HNNXBMFYSA-N 1 1 409.412 2.077 20 0 HDADMO Cc1nn(C)cc1[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000675254521 1074778964 /nfs/dbraw/zinc/77/89/64/1074778964.db2.gz JVQZCKPHFPEOHB-MOPGFXCFSA-N 1 1 403.527 1.105 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675287150 1074780281 /nfs/dbraw/zinc/78/02/81/1074780281.db2.gz WEYGUTXJQMCWIW-IAGOWNOFSA-N 1 1 414.531 1.649 20 0 HDADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291908 1074782507 /nfs/dbraw/zinc/78/25/07/1074782507.db2.gz WQSVENLCIANVSK-CKEIUWERSA-N 1 1 422.476 1.423 20 0 HDADMO CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675282076 1074786060 /nfs/dbraw/zinc/78/60/60/1074786060.db2.gz ZLRMNYQYMQEGGM-GOSISDBHSA-N 1 1 409.552 1.412 20 0 HDADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446714348 1074786923 /nfs/dbraw/zinc/78/69/23/1074786923.db2.gz HUBLQEKLHBHFTI-INIZCTEOSA-N 1 1 423.439 2.065 20 0 HDADMO CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000466670442 1074794842 /nfs/dbraw/zinc/79/48/42/1074794842.db2.gz RSPITOLWJFLMSD-NHYWBVRUSA-N 1 1 410.462 1.995 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@H]21 ZINC000766106010 1074812037 /nfs/dbraw/zinc/81/20/37/1074812037.db2.gz APJLYLJFSQOOAO-VHSXEESVSA-N 1 1 422.370 1.714 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@H]21 ZINC000766114332 1074821179 /nfs/dbraw/zinc/82/11/79/1074821179.db2.gz SLVHBECDDFHEAJ-SWLSCSKDSA-N 1 1 413.490 1.962 20 0 HDADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C ZINC000446788616 1075097159 /nfs/dbraw/zinc/09/71/59/1075097159.db2.gz YGLUZJVPTXJHHZ-INIZCTEOSA-N 1 1 416.501 2.424 20 0 HDADMO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)no1 ZINC000599295969 1075113887 /nfs/dbraw/zinc/11/38/87/1075113887.db2.gz CUWOZHBOAMPRGE-LJQANCHMSA-N 1 1 419.913 2.022 20 0 HDADMO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000670513073 1075116307 /nfs/dbraw/zinc/11/63/07/1075116307.db2.gz FYBHPDKFIMVBPA-AWEZNQCLSA-N 1 1 415.456 1.668 20 0 HDADMO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(C)(C)O ZINC000670513073 1075116311 /nfs/dbraw/zinc/11/63/11/1075116311.db2.gz FYBHPDKFIMVBPA-AWEZNQCLSA-N 1 1 415.456 1.668 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379836 1075119154 /nfs/dbraw/zinc/11/91/54/1075119154.db2.gz QYNRHHAUYUTYDW-CXAGYDPISA-N 1 1 422.888 1.301 20 0 HDADMO COc1cccc([C@@H](O)C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc2ccccc2)c1 ZINC000766120273 1075123898 /nfs/dbraw/zinc/12/38/98/1075123898.db2.gz LTXNBOZQYNNGMN-UTKZUKDTSA-N 1 1 413.518 1.824 20 0 HDADMO COc1cccc([C@@H](O)C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc2ccccc2)c1 ZINC000766120273 1075123900 /nfs/dbraw/zinc/12/39/00/1075123900.db2.gz LTXNBOZQYNNGMN-UTKZUKDTSA-N 1 1 413.518 1.824 20 0 HDADMO CCCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000675402862 1075127768 /nfs/dbraw/zinc/12/77/68/1075127768.db2.gz FDQUFIRKRRBHKK-KRWDZBQOSA-N 1 1 406.502 1.791 20 0 HDADMO C[C@@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)CN1CC[NH+](C)CC1 ZINC000675403615 1075128925 /nfs/dbraw/zinc/12/89/25/1075128925.db2.gz NCMGPWXFQFCEMU-ROUUACIJSA-N 1 1 412.538 1.431 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433366 1075142754 /nfs/dbraw/zinc/14/27/54/1075142754.db2.gz NKFUQLXMVDYVJI-CXAGYDPISA-N 1 1 422.888 1.301 20 0 HDADMO CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O ZINC000429345344 1075145132 /nfs/dbraw/zinc/14/51/32/1075145132.db2.gz CNBNTELRQQOLCY-DYESRHJHSA-N 1 1 402.495 1.114 20 0 HDADMO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@H](c3ccco3)[NH+](C)C)C2)c1 ZINC000670525913 1075149292 /nfs/dbraw/zinc/14/92/92/1075149292.db2.gz POXABSZHVWVWIU-QFBILLFUSA-N 1 1 414.506 1.650 20 0 HDADMO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000042288508 1075150286 /nfs/dbraw/zinc/15/02/86/1075150286.db2.gz NZJYWXNMBBFDNW-HNNXBMFYSA-N 1 1 412.456 1.907 20 0 HDADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000543627794 1075151320 /nfs/dbraw/zinc/15/13/20/1075151320.db2.gz HESLCCGGVMFYEW-CABCVRRESA-N 1 1 417.574 1.643 20 0 HDADMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000675453831 1075158652 /nfs/dbraw/zinc/15/86/52/1075158652.db2.gz DDTFPCLYABXZNL-HNNXBMFYSA-N 1 1 401.554 1.234 20 0 HDADMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000675453831 1075158656 /nfs/dbraw/zinc/15/86/56/1075158656.db2.gz DDTFPCLYABXZNL-HNNXBMFYSA-N 1 1 401.554 1.234 20 0 HDADMO CN(C)c1ccc(-c2cncc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)c2)cc1 ZINC000675467497 1075166545 /nfs/dbraw/zinc/16/65/45/1075166545.db2.gz XDEBZZRJFNABBE-QFIPXVFZSA-N 1 1 423.561 1.951 20 0 HDADMO 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O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000675654982 1075248199 /nfs/dbraw/zinc/24/81/99/1075248199.db2.gz XMXZECBUMIEXOE-ROUUACIJSA-N 1 1 402.543 1.757 20 0 HDADMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000675654983 1075248274 /nfs/dbraw/zinc/24/82/74/1075248274.db2.gz XMXZECBUMIEXOE-ZWKOTPCHSA-N 1 1 402.543 1.757 20 0 HDADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000675654980 1075248304 /nfs/dbraw/zinc/24/83/04/1075248304.db2.gz XMXZECBUMIEXOE-MSOLQXFVSA-N 1 1 402.543 1.757 20 0 HDADMO NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000675656350 1075250109 /nfs/dbraw/zinc/25/01/09/1075250109.db2.gz UMNNHWSTUUTURG-WOJBJXKFSA-N 1 1 414.550 1.859 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000804220257 1075251949 /nfs/dbraw/zinc/25/19/49/1075251949.db2.gz SCXDKYGIGUBGCY-KKSFZXQISA-N 1 1 412.575 1.986 20 0 HDADMO CC(C)(CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)Oc1cc(F)cc(F)c1 ZINC000509361945 1075254570 /nfs/dbraw/zinc/25/45/70/1075254570.db2.gz YFUSVTZHHOUIHN-IBGZPJMESA-N 1 1 401.454 1.505 20 0 HDADMO C[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC[N@@H+]1CCO ZINC000429371899 1075255758 /nfs/dbraw/zinc/25/57/58/1075255758.db2.gz LEYSCSBINDPAJR-HNNXBMFYSA-N 1 1 404.511 1.988 20 0 HDADMO C[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC[N@H+]1CCO ZINC000429371899 1075255762 /nfs/dbraw/zinc/25/57/62/1075255762.db2.gz LEYSCSBINDPAJR-HNNXBMFYSA-N 1 1 404.511 1.988 20 0 HDADMO CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000509362686 1075256115 /nfs/dbraw/zinc/25/61/15/1075256115.db2.gz BHQSGMKEXKSIPB-HXUWFJFHSA-N 1 1 416.547 1.864 20 0 HDADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675699205 1075260183 /nfs/dbraw/zinc/26/01/83/1075260183.db2.gz RKUPZHHAQRBPAZ-PBHICJAKSA-N 1 1 422.551 1.302 20 0 HDADMO 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HDADMO CN1CCOc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc21 ZINC000673783406 1073721544 /nfs/dbraw/zinc/72/15/44/1073721544.db2.gz SVRPZFNILIJUKT-KRWDZBQOSA-N 1 1 402.495 1.167 20 0 HDADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C[C@H](C)O1 ZINC000509144688 1073729417 /nfs/dbraw/zinc/72/94/17/1073729417.db2.gz RNHAGIFZAIAAFW-YHELAOLJSA-N 1 1 417.550 1.717 20 0 HDADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C[C@H](C)O1 ZINC000509144688 1073729421 /nfs/dbraw/zinc/72/94/21/1073729421.db2.gz RNHAGIFZAIAAFW-YHELAOLJSA-N 1 1 417.550 1.717 20 0 HDADMO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000673810703 1073754102 /nfs/dbraw/zinc/75/41/02/1073754102.db2.gz CVBPYZNGUMYVMY-BFYDXBDKSA-N 1 1 404.515 1.125 20 0 HDADMO CNC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cn1C ZINC000673824856 1073771112 /nfs/dbraw/zinc/77/11/12/1073771112.db2.gz RQNAIMIRURVSRL-INIZCTEOSA-N 1 1 404.536 1.670 20 0 HDADMO CNC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cn1C ZINC000673824856 1073771120 /nfs/dbraw/zinc/77/11/20/1073771120.db2.gz RQNAIMIRURVSRL-INIZCTEOSA-N 1 1 404.536 1.670 20 0 HDADMO COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000429144887 1073775033 /nfs/dbraw/zinc/77/50/33/1073775033.db2.gz UKBABUBOZLUDBG-GOSISDBHSA-N 1 1 405.543 1.791 20 0 HDADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000946730258 1073796237 /nfs/dbraw/zinc/79/62/37/1073796237.db2.gz MPBSZZORYRFMGM-GJNTUIEKSA-N 1 1 400.523 1.927 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673833313 1073797603 /nfs/dbraw/zinc/79/76/03/1073797603.db2.gz CLJCZTVSHZGFOH-LJQANCHMSA-N 1 1 408.506 1.862 20 0 HDADMO O=C(NCc1nnc2ccccn21)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000670422572 1073800413 /nfs/dbraw/zinc/80/04/13/1073800413.db2.gz GYVQEEWFPFYWTJ-YQQQUEKLSA-N 1 1 418.501 1.657 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 ZINC000057260698 1073803147 /nfs/dbraw/zinc/80/31/47/1073803147.db2.gz MHUNRUYEXUWXBP-MRXNPFEDSA-N 1 1 400.504 1.956 20 0 HDADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 ZINC000057260698 1073803157 /nfs/dbraw/zinc/80/31/57/1073803157.db2.gz MHUNRUYEXUWXBP-MRXNPFEDSA-N 1 1 400.504 1.956 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 ZINC000057260699 1073803307 /nfs/dbraw/zinc/80/33/07/1073803307.db2.gz MHUNRUYEXUWXBP-INIZCTEOSA-N 1 1 400.504 1.956 20 0 HDADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 ZINC000057260699 1073803316 /nfs/dbraw/zinc/80/33/16/1073803316.db2.gz MHUNRUYEXUWXBP-INIZCTEOSA-N 1 1 400.504 1.956 20 0 HDADMO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000509161228 1073806012 /nfs/dbraw/zinc/80/60/12/1073806012.db2.gz ARQBUZGEPFBMIE-AQNXPRMDSA-N 1 1 421.563 1.496 20 0 HDADMO CC[C@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1c(C)noc1C ZINC000543494853 1073834947 /nfs/dbraw/zinc/83/49/47/1073834947.db2.gz ABZMOAJEZWPOLN-INIZCTEOSA-N 1 1 412.498 1.358 20 0 HDADMO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000673911837 1073883660 /nfs/dbraw/zinc/88/36/60/1073883660.db2.gz GBMWIOCZQMPBNA-UZLBHIALSA-N 1 1 416.522 1.935 20 0 HDADMO COc1ccccc1C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000673912489 1073884889 /nfs/dbraw/zinc/88/48/89/1073884889.db2.gz JOEKYEMXSADAON-RTWAWAEBSA-N 1 1 418.582 1.968 20 0 HDADMO COc1cc(OC)cc(N2CC[C@@H](N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)c1 ZINC000673914914 1073886343 /nfs/dbraw/zinc/88/63/43/1073886343.db2.gz GXTXTSDMYXWIQE-DYESRHJHSA-N 1 1 402.539 1.521 20 0 HDADMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001128561272 1073905712 /nfs/dbraw/zinc/90/57/12/1073905712.db2.gz UVUNYXSZPQTABA-KDURUIRLSA-N 1 1 414.550 1.386 20 0 HDADMO COc1ccc(C(=O)NCC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1OC ZINC000026065008 1073929382 /nfs/dbraw/zinc/92/93/82/1073929382.db2.gz PPGIKKIOFBYKGB-KRWDZBQOSA-N 1 1 407.511 1.297 20 0 HDADMO C[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000429176606 1073951550 /nfs/dbraw/zinc/95/15/50/1073951550.db2.gz YDTZOQYFIPLFDO-SGTLLEGYSA-N 1 1 419.532 1.919 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000509183040 1073959753 /nfs/dbraw/zinc/95/97/53/1073959753.db2.gz JJSWDTCQMMVNKN-MRXNPFEDSA-N 1 1 414.506 1.157 20 0 HDADMO CCc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)ncn1 ZINC000673980608 1073972799 /nfs/dbraw/zinc/97/27/99/1073972799.db2.gz SNGKQFIFFBFMGX-IBGZPJMESA-N 1 1 415.586 1.476 20 0 HDADMO CCc1cc(N2CCC(NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000673980608 1073972801 /nfs/dbraw/zinc/97/28/01/1073972801.db2.gz SNGKQFIFFBFMGX-IBGZPJMESA-N 1 1 415.586 1.476 20 0 HDADMO CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466573876 1073979865 /nfs/dbraw/zinc/97/98/65/1073979865.db2.gz OJPIJPSNNSSZTL-JTDSTZFVSA-N 1 1 403.527 1.509 20 0 HDADMO CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466573876 1073979868 /nfs/dbraw/zinc/97/98/68/1073979868.db2.gz OJPIJPSNNSSZTL-JTDSTZFVSA-N 1 1 403.527 1.509 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000509189617 1074004821 /nfs/dbraw/zinc/00/48/21/1074004821.db2.gz GELCKTJITVXPDU-KDOFPFPSSA-N 1 1 415.581 1.478 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543530953 1074023283 /nfs/dbraw/zinc/02/32/83/1074023283.db2.gz XIDMCBWQFQISMO-AWEZNQCLSA-N 1 1 400.483 1.065 20 0 HDADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)c1ccsc1 ZINC000543532769 1074031442 /nfs/dbraw/zinc/03/14/42/1074031442.db2.gz BRGYWNUIBSCZHG-KRWDZBQOSA-N 1 1 415.519 1.631 20 0 HDADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000543535676 1074039031 /nfs/dbraw/zinc/03/90/31/1074039031.db2.gz ALIGAEXXHLFSMN-ROUUACIJSA-N 1 1 417.554 1.916 20 0 HDADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000509193882 1074040043 /nfs/dbraw/zinc/04/00/43/1074040043.db2.gz FSWPHXCUJFYUBU-SJLPKXTDSA-N 1 1 403.589 1.638 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC[N@@H+]1CCO ZINC000429192226 1074041567 /nfs/dbraw/zinc/04/15/67/1074041567.db2.gz GRAXJUNPYCPGAN-MRXNPFEDSA-N 1 1 410.478 1.075 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC[N@H+]1CCO ZINC000429192226 1074041578 /nfs/dbraw/zinc/04/15/78/1074041578.db2.gz GRAXJUNPYCPGAN-MRXNPFEDSA-N 1 1 410.478 1.075 20 0 HDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3c(C)nn(C)c3C)CC2)CC1 ZINC000466590149 1074045768 /nfs/dbraw/zinc/04/57/68/1074045768.db2.gz YTMRPTSZRKNQEA-UHFFFAOYSA-N 1 1 404.559 1.513 20 0 HDADMO CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1 ZINC001649123437 1074048158 /nfs/dbraw/zinc/04/81/58/1074048158.db2.gz VZUYMLNBAMUBDT-AJSBUHFISA-N 1 1 416.518 1.706 20 0 HDADMO CNC(=O)N[C@H]1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000466594054 1074049174 /nfs/dbraw/zinc/04/91/74/1074049174.db2.gz WPNLUMKVDHYFCM-RBUKOAKNSA-N 1 1 402.543 1.078 20 0 HDADMO CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000466594054 1074049186 /nfs/dbraw/zinc/04/91/86/1074049186.db2.gz WPNLUMKVDHYFCM-RBUKOAKNSA-N 1 1 402.543 1.078 20 0 HDADMO CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000466594054 1074049190 /nfs/dbraw/zinc/04/91/90/1074049190.db2.gz WPNLUMKVDHYFCM-RBUKOAKNSA-N 1 1 402.543 1.078 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000466595524 1074049546 /nfs/dbraw/zinc/04/95/46/1074049546.db2.gz IKLHDTQNGXXQML-KZNAEPCWSA-N 1 1 402.543 1.326 20 0 HDADMO O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000429196406 1074051887 /nfs/dbraw/zinc/05/18/87/1074051887.db2.gz GHFVNIPEMLVYBW-PZJWPPBQSA-N 1 1 424.549 1.628 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000543544916 1074060231 /nfs/dbraw/zinc/06/02/31/1074060231.db2.gz LVVWPOQWVZGUGA-PKOBYXMFSA-N 1 1 415.538 1.784 20 0 HDADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000058882871 1074072492 /nfs/dbraw/zinc/07/24/92/1074072492.db2.gz SHANGQDWEUVOOG-JKIFEVAISA-N 1 1 411.506 1.897 20 0 HDADMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543553806 1074088165 /nfs/dbraw/zinc/08/81/65/1074088165.db2.gz IOSOBPMGQBQLHJ-SFHVURJKSA-N 1 1 415.538 1.777 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc2)CC1 ZINC000674022433 1074088593 /nfs/dbraw/zinc/08/85/93/1074088593.db2.gz BAEQOUQWXOKMEJ-UHFFFAOYSA-N 1 1 410.540 1.409 20 0 HDADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@H]1C ZINC000543556576 1074096122 /nfs/dbraw/zinc/09/61/22/1074096122.db2.gz FSQAXMPAKAKGFZ-HZPDHXFCSA-N 1 1 416.522 1.492 20 0 HDADMO 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HDADMO C[C@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)C[NH+]1CCOCC1 ZINC000429315280 1074700801 /nfs/dbraw/zinc/70/08/01/1074700801.db2.gz JBQOGGGMGVTKIU-QUCCMNQESA-N 1 1 402.539 1.488 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CCN2C1=O ZINC000675105509 1074721060 /nfs/dbraw/zinc/72/10/60/1074721060.db2.gz OWDCDMSNNHYAJS-HLLBOEOZSA-N 1 1 419.551 1.809 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CCN2C1=O ZINC000675108613 1074723460 /nfs/dbraw/zinc/72/34/60/1074723460.db2.gz BQAHGTRYTTXRRF-KSSFIOAISA-N 1 1 410.478 1.920 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000467923671 1074724657 /nfs/dbraw/zinc/72/46/57/1074724657.db2.gz YSSQSJTYBODXAV-HNNXBMFYSA-N 1 1 403.508 2.287 20 0 HDADMO Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1N1CCOC1=O ZINC000766091801 1074726595 /nfs/dbraw/zinc/72/65/95/1074726595.db2.gz PFRWRGJJEBMLNL-QGZVFWFLSA-N 1 1 415.494 1.722 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1-c1ccc(F)cc1F ZINC000560152153 1074727084 /nfs/dbraw/zinc/72/70/84/1074727084.db2.gz RWLLLVNQEPOSQD-HXUWFJFHSA-N 1 1 403.433 1.952 20 0 HDADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@H]1CSCCS1 ZINC000785480379 1074732697 /nfs/dbraw/zinc/73/26/97/1074732697.db2.gz BLDGEQKWCLRSSV-KRWDZBQOSA-N 1 1 409.577 1.100 20 0 HDADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@@H]1CSCCS1 ZINC000785480381 1074732845 /nfs/dbraw/zinc/73/28/45/1074732845.db2.gz BLDGEQKWCLRSSV-QGZVFWFLSA-N 1 1 409.577 1.100 20 0 HDADMO CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000675155387 1074747379 /nfs/dbraw/zinc/74/73/79/1074747379.db2.gz OSIDCCJNGJAPHR-IBGZPJMESA-N 1 1 404.555 1.714 20 0 HDADMO CN(Cc1cc(Br)cn1C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000675175701 1074749399 /nfs/dbraw/zinc/74/93/99/1074749399.db2.gz NQBDLLCBDZBEQW-UHFFFAOYSA-N 1 1 400.365 1.955 20 0 HDADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495123 1074749936 /nfs/dbraw/zinc/74/99/36/1074749936.db2.gz YBAYCBPPCICAPM-UHFFFAOYSA-N 1 1 416.349 1.957 20 0 HDADMO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)cc1 ZINC000675189509 1074752551 /nfs/dbraw/zinc/75/25/51/1074752551.db2.gz KGCLUGKPMRCFNJ-UFYCRDLUSA-N 1 1 412.534 1.155 20 0 HDADMO C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000766096820 1074753902 /nfs/dbraw/zinc/75/39/02/1074753902.db2.gz IFSJRTVCNLDYDM-RBSFLKMASA-N 1 1 414.959 1.735 20 0 HDADMO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000670496936 1074756647 /nfs/dbraw/zinc/75/66/47/1074756647.db2.gz NOFMWHZSQHMERO-AWEZNQCLSA-N 1 1 414.333 1.833 20 0 HDADMO COc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000429244406 1074757399 /nfs/dbraw/zinc/75/73/99/1074757399.db2.gz GDNCHBUEZWUIOO-UHFFFAOYSA-N 1 1 404.536 1.889 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)C1 ZINC000675209567 1074758480 /nfs/dbraw/zinc/75/84/80/1074758480.db2.gz GAZMFLNIYOHVJY-IBGZPJMESA-N 1 1 410.522 1.108 20 0 HDADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670497154 1074764052 /nfs/dbraw/zinc/76/40/52/1074764052.db2.gz ZHHLSSLRHGUXKY-UHFFFAOYSA-N 1 1 415.365 1.796 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@@H]21 ZINC000766098460 1074764861 /nfs/dbraw/zinc/76/48/61/1074764861.db2.gz QZTICIXHHQPZLW-PBHICJAKSA-N 1 1 403.504 1.550 20 0 HDADMO CCC(=O)N1CC[C@@H](Nc2cc(N[C@@H]3CCN(C(=O)CC)C3)c3ccncc3[nH+]2)C1 ZINC000550386149 1074770935 /nfs/dbraw/zinc/77/09/35/1074770935.db2.gz CFGYJPYCHHHUEH-HZPDHXFCSA-N 1 1 410.522 2.475 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1-c1ccc(F)cc1F ZINC000573244515 1074771559 /nfs/dbraw/zinc/77/15/59/1074771559.db2.gz JFLYTMDYRAXHAM-NVXWUHKLSA-N 1 1 403.433 2.140 20 0 HDADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(CNc2ccncn2)c1 ZINC000582984332 1074780043 /nfs/dbraw/zinc/78/00/43/1074780043.db2.gz KQOHRHFQKISYIS-JOCHJYFZSA-N 1 1 417.513 2.238 20 0 HDADMO Cc1cc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)nn1-c1ccccc1 ZINC000463971306 1074790990 /nfs/dbraw/zinc/79/09/90/1074790990.db2.gz ORWJJOBTLMHLJT-FQEVSTJZSA-N 1 1 419.485 2.325 20 0 HDADMO C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000675300501 1074792246 /nfs/dbraw/zinc/79/22/46/1074792246.db2.gz AVSISUXRBUBQOZ-MJGOQNOKSA-N 1 1 418.538 1.962 20 0 HDADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304897 1074793355 /nfs/dbraw/zinc/79/33/55/1074793355.db2.gz HTKZTVGXKVUBFI-FUHWJXTLSA-N 1 1 420.941 1.942 20 0 HDADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000429331731 1074796316 /nfs/dbraw/zinc/79/63/16/1074796316.db2.gz LCZUPLCSOIRIMM-NRFANRHFSA-N 1 1 407.478 1.763 20 0 HDADMO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](c2ccsc2)O1 ZINC000675309204 1074796560 /nfs/dbraw/zinc/79/65/60/1074796560.db2.gz IKIJMOZHFWKHCL-NZSAHSFTSA-N 1 1 408.568 1.626 20 0 HDADMO 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1.423 20 0 HDADMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)Nc3cc4ccccn4n3)CC2)C[C@@H](C)O1 ZINC000554437325 1075702399 /nfs/dbraw/zinc/70/23/99/1075702399.db2.gz DCCJMLDZHWFVAZ-IAGOWNOFSA-N 1 1 401.511 2.456 20 0 HDADMO COc1cc2[nH+]c(NCc3ccncc3OC[C@@H]3CCOC3)nc(N)c2cc1OC ZINC000565855263 1075702990 /nfs/dbraw/zinc/70/29/90/1075702990.db2.gz SEHBWPIUAGSEJF-CYBMUJFWSA-N 1 1 411.462 2.074 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000545907559 1075704732 /nfs/dbraw/zinc/70/47/32/1075704732.db2.gz DSIRUBNVHQKFPY-NQIIRXRSSA-N 1 1 417.513 2.507 20 0 HDADMO COc1cc2[nH+]c(N3CCS(=O)(=O)C4(CCCCC4)C3)nc(N)c2cc1OC ZINC000441822855 1075707057 /nfs/dbraw/zinc/70/70/57/1075707057.db2.gz KQNVBGDGMJGUNZ-UHFFFAOYSA-N 1 1 406.508 2.167 20 0 HDADMO COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509439142 1075714206 /nfs/dbraw/zinc/71/42/06/1075714206.db2.gz OBHHMMTXVGICTE-MSOLQXFVSA-N 1 1 404.555 1.633 20 0 HDADMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000438644571 1075715957 /nfs/dbraw/zinc/71/59/57/1075715957.db2.gz BBMNSEKAZFJREL-GOSISDBHSA-N 1 1 407.518 2.078 20 0 HDADMO C[C@H](c1ccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc1)[NH+]1CCOCC1 ZINC000485033690 1075715965 /nfs/dbraw/zinc/71/59/65/1075715965.db2.gz MFADOWLTHZEFTM-CQSZACIVSA-N 1 1 417.539 1.868 20 0 HDADMO CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1(C)C ZINC000509438721 1075716362 /nfs/dbraw/zinc/71/63/62/1075716362.db2.gz NPMYTZFLGRPGAR-HFJQGTKSSA-N 1 1 416.566 1.633 20 0 HDADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000425996170 1075716417 /nfs/dbraw/zinc/71/64/17/1075716417.db2.gz OJAWWVAHBJFTCT-ZBFHGGJFSA-N 1 1 401.540 1.787 20 0 HDADMO Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1N ZINC000467574717 1075718406 /nfs/dbraw/zinc/71/84/06/1075718406.db2.gz CPBVCODGLCWBNA-OAHLLOKOSA-N 1 1 422.493 1.187 20 0 HDADMO 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Nc1nc(CN2CCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)CC2)nc2ccccc12 ZINC000462028064 1075729004 /nfs/dbraw/zinc/72/90/04/1075729004.db2.gz CPPSDRNLRZCVHC-OAQYLSRUSA-N 1 1 416.529 2.131 20 0 HDADMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1Cc1ccccc1 ZINC000511719901 1075734232 /nfs/dbraw/zinc/73/42/32/1075734232.db2.gz BNNFVDOWVLGMEK-YLJYHZDGSA-N 1 1 424.549 1.868 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H](C)c1nccs1 ZINC000509442918 1075734442 /nfs/dbraw/zinc/73/44/42/1075734442.db2.gz VJLDSWHOKLKAIN-DLBZAZTESA-N 1 1 415.563 1.690 20 0 HDADMO COC(=O)Cc1ccc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)cc1 ZINC000543687889 1075740720 /nfs/dbraw/zinc/74/07/20/1075740720.db2.gz VKNLJCZCINOOSP-UHFFFAOYSA-N 1 1 423.579 1.440 20 0 HDADMO CN(CCS(C)(=O)=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000732432505 1075743839 /nfs/dbraw/zinc/74/38/39/1075743839.db2.gz KOCSXAUJTDMPOQ-UHFFFAOYSA-N 1 1 408.524 1.482 20 0 HDADMO CN(c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1F)C1CCCCC1 ZINC000732485427 1075747881 /nfs/dbraw/zinc/74/78/81/1075747881.db2.gz QONWTYUQDUJCCZ-SFHVURJKSA-N 1 1 419.545 1.895 20 0 HDADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccnc(C(=O)OC)c3)cc2)CC1 ZINC000429268359 1075750313 /nfs/dbraw/zinc/75/03/13/1075750313.db2.gz BDFZJKDJDACLJN-UHFFFAOYSA-N 1 1 410.474 1.827 20 0 HDADMO CC[C@@H](c1nn(CN2CCNC(=O)C2)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000732461076 1075750549 /nfs/dbraw/zinc/75/05/49/1075750549.db2.gz MLCDAKIZGMFMLH-INIZCTEOSA-N 1 1 404.540 1.814 20 0 HDADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000732463848 1075751847 /nfs/dbraw/zinc/75/18/47/1075751847.db2.gz SSGJYVJCBKOCKQ-KRWDZBQOSA-N 1 1 403.527 1.307 20 0 HDADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000732465375 1075752936 /nfs/dbraw/zinc/75/29/36/1075752936.db2.gz DKKZCIXFKHGJMR-MRXNPFEDSA-N 1 1 412.556 1.996 20 0 HDADMO CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465998 1075753507 /nfs/dbraw/zinc/75/35/07/1075753507.db2.gz PBUWFUADNUUERO-IIDMSEBBSA-N 1 1 406.914 1.950 20 0 HDADMO CN(C)c1nc(NC[C@@H](O)COc2ccc(I)cc2)cc[nH+]1 ZINC000610130130 1075754601 /nfs/dbraw/zinc/75/46/01/1075754601.db2.gz HKVFALGPDHVJPL-GFCCVEGCSA-N 1 1 414.247 1.999 20 0 HDADMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525485368 1075755714 /nfs/dbraw/zinc/75/57/14/1075755714.db2.gz DSUDBUXPEATSNM-DNVCBOLYSA-N 1 1 423.521 1.272 20 0 HDADMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525485368 1075755717 /nfs/dbraw/zinc/75/57/17/1075755717.db2.gz DSUDBUXPEATSNM-DNVCBOLYSA-N 1 1 423.521 1.272 20 0 HDADMO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000509264539 1075760844 /nfs/dbraw/zinc/76/08/44/1075760844.db2.gz QTNVHISFYXDTKA-UHFFFAOYSA-N 1 1 401.555 1.240 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cn1 ZINC000732485046 1075762337 /nfs/dbraw/zinc/76/23/37/1075762337.db2.gz UPFPBXZDROJEPG-CYBMUJFWSA-N 1 1 416.482 1.886 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)C1CC1 ZINC000804223552 1075775960 /nfs/dbraw/zinc/77/59/60/1075775960.db2.gz FAOLYDRBZBLJJS-SZMVWBNQSA-N 1 1 422.570 1.739 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)C1CC1 ZINC000804225033 1075776851 /nfs/dbraw/zinc/77/68/51/1075776851.db2.gz RYVVRKWZWQMNNA-HNNXBMFYSA-N 1 1 402.495 1.763 20 0 HDADMO C[NH+]1CCC(CNC(=O)Nc2ccn(CC(F)(F)F)n2)(N2CCCCC2)CC1 ZINC000448291078 1075776980 /nfs/dbraw/zinc/77/69/80/1075776980.db2.gz VTINRVNTXDOXGK-UHFFFAOYSA-N 1 1 402.465 2.517 20 0 HDADMO NC(=[NH+]OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 ZINC000732570861 1075782014 /nfs/dbraw/zinc/78/20/14/1075782014.db2.gz WWVDKPMUWRDRFB-UHFFFAOYSA-N 1 1 410.496 1.335 20 0 HDADMO CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732559280 1075785547 /nfs/dbraw/zinc/78/55/47/1075785547.db2.gz KLZYNRJRQAQHHK-JXFKEZNVSA-N 1 1 402.514 1.806 20 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C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000448507138 1075790858 /nfs/dbraw/zinc/79/08/58/1075790858.db2.gz DOLXUYQAESSZSR-HIFRSBDPSA-N 1 1 409.412 2.336 20 0 HDADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H]1Cc1ccccc1 ZINC000551757612 1075790967 /nfs/dbraw/zinc/79/09/67/1075790967.db2.gz VDERHDHKKSKYLD-FQEVSTJZSA-N 1 1 418.501 1.650 20 0 HDADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H]1Cc1ccccc1 ZINC000551757612 1075790972 /nfs/dbraw/zinc/79/09/72/1075790972.db2.gz VDERHDHKKSKYLD-FQEVSTJZSA-N 1 1 418.501 1.650 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C(=O)Nc1ccccc1 ZINC000732594531 1075792142 /nfs/dbraw/zinc/79/21/42/1075792142.db2.gz XXZXMAKTWQHPSA-QGZVFWFLSA-N 1 1 423.517 1.910 20 0 HDADMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 ZINC000613504155 1075797684 /nfs/dbraw/zinc/79/76/84/1075797684.db2.gz WJASITCUBFQKSR-SFHVURJKSA-N 1 1 409.600 1.942 20 0 HDADMO 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COc1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164751941 720804379 /nfs/dbraw/zinc/80/43/79/720804379.db2.gz YGUPTZAZVJBMTG-VXGBXAGGSA-N 1 1 412.828 1.815 20 0 HDADMO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744782 720812820 /nfs/dbraw/zinc/81/28/20/720812820.db2.gz ILHMYZZUXXEDJE-VDZJLULYSA-N 1 1 414.485 1.978 20 0 HDADMO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164737969 720816991 /nfs/dbraw/zinc/81/69/91/720816991.db2.gz CSJWKWVCCZFIKU-ZIFCJYIRSA-N 1 1 411.510 1.624 20 0 HDADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164744537 720830264 /nfs/dbraw/zinc/83/02/64/720830264.db2.gz UYFQGGFGGFBPPS-VDHUWJSZSA-N 1 1 422.537 1.893 20 0 HDADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]2C1 ZINC001164850977 720835191 /nfs/dbraw/zinc/83/51/91/720835191.db2.gz FXVUGXLUBFTSDU-OCCSQVGLSA-N 1 1 418.872 1.552 20 0 HDADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(C(=O)OC)ccc43)CC[C@H]2C1 ZINC001164853691 720838841 /nfs/dbraw/zinc/83/88/41/720838841.db2.gz OKOYSGNTXHLDNZ-LPHOPBHVSA-N 1 1 400.479 1.590 20 0 HDADMO COCC[N@H+]1CCO[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC[C@H]2C1 ZINC001164853239 720847082 /nfs/dbraw/zinc/84/70/82/720847082.db2.gz NGJFQXJVPOKGCO-HOTGVXAUSA-N 1 1 407.515 1.997 20 0 HDADMO COCCOc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164739536 720848990 /nfs/dbraw/zinc/84/89/90/720848990.db2.gz AZMRBCPOUHJIJZ-GUDVDZBRSA-N 1 1 413.526 1.473 20 0 HDADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(-n5cncn5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164742535 720851004 /nfs/dbraw/zinc/85/10/04/720851004.db2.gz HHHPVABZLNSRMJ-FGTMMUONSA-N 1 1 406.498 1.028 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc4nc(C(=O)OC)cc-4c(OC)[nH]3)CC[C@H]2C1 ZINC001164858993 720852887 /nfs/dbraw/zinc/85/28/87/720852887.db2.gz TXKIFSZZSSLRAJ-KBXCAEBGSA-N 1 1 418.494 1.532 20 0 HDADMO O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164750373 720852956 /nfs/dbraw/zinc/85/29/56/720852956.db2.gz PPAFNPOZQNLDKC-YVWKXTFCSA-N 1 1 422.537 1.340 20 0 HDADMO COCc1nc(OC)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746859 720859099 /nfs/dbraw/zinc/85/90/99/720859099.db2.gz GUMYCPMKSJAJQA-RCCFBDPRSA-N 1 1 413.526 1.603 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3OC)CC[C@@H]2C1 ZINC001164852324 720870516 /nfs/dbraw/zinc/87/05/16/720870516.db2.gz CHFBPGLPDUNHIO-TZMCWYRMSA-N 1 1 406.861 1.857 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)c(C(=O)OC)c3OC)CC[C@@H]2C1 ZINC001164862192 720870722 /nfs/dbraw/zinc/87/07/22/720870722.db2.gz ZKIDVKKICGVBNF-UKRRQHHQSA-N 1 1 413.902 1.704 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@H]2C1 ZINC001164859521 720871179 /nfs/dbraw/zinc/87/11/79/720871179.db2.gz UFIVYCMOFCUKTM-SWLSCSKDSA-N 1 1 418.872 1.552 20 0 HDADMO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@H]2C1 ZINC001164854480 720872025 /nfs/dbraw/zinc/87/20/25/720872025.db2.gz KBRCZWVUTZHBTE-UONOGXRCSA-N 1 1 403.932 1.312 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@H]2C1 ZINC001164854480 720872027 /nfs/dbraw/zinc/87/20/27/720872027.db2.gz KBRCZWVUTZHBTE-UONOGXRCSA-N 1 1 403.932 1.312 20 0 HDADMO NC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753302 720876575 /nfs/dbraw/zinc/87/65/75/720876575.db2.gz OTIOZPQQWZATCE-CVDCTZTESA-N 1 1 422.533 1.726 20 0 HDADMO O=C(c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164869945 721050498 /nfs/dbraw/zinc/05/04/98/721050498.db2.gz URUCBFXNLGWQJU-SFTDATJTSA-N 1 1 423.517 1.429 20 0 HDADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867792 721066449 /nfs/dbraw/zinc/06/64/49/721066449.db2.gz KLRXDRHIOBFZEF-KBPBESRZSA-N 1 1 405.861 1.848 20 0 HDADMO NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164866123 721078029 /nfs/dbraw/zinc/07/80/29/721078029.db2.gz RGOKDCQYDQYYRS-GJZGRUSLSA-N 1 1 423.926 1.257 20 0 HDADMO CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863537 721108449 /nfs/dbraw/zinc/10/84/49/721108449.db2.gz CTGZJZCKZXVSKK-MSOLQXFVSA-N 1 1 417.535 1.255 20 0 HDADMO CN1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867652 721109917 /nfs/dbraw/zinc/10/99/17/721109917.db2.gz ZGCMEKHRJZFRGY-RTWAWAEBSA-N 1 1 408.550 1.708 20 0 HDADMO CN1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867652 721109925 /nfs/dbraw/zinc/10/99/25/721109925.db2.gz ZGCMEKHRJZFRGY-RTWAWAEBSA-N 1 1 408.550 1.708 20 0 HDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872763 721123628 /nfs/dbraw/zinc/12/36/28/721123628.db2.gz IHCONHBMTZAPIA-OALUTQOASA-N 1 1 411.506 1.898 20 0 HDADMO NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879929 721170106 /nfs/dbraw/zinc/17/01/06/721170106.db2.gz VJYFTHPPKRXEKH-LSDHHAIUSA-N 1 1 423.926 1.257 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3C2)cn1 ZINC001164767231 721236330 /nfs/dbraw/zinc/23/63/30/721236330.db2.gz WKKPCAHCSCDROS-HZPDHXFCSA-N 1 1 401.946 1.810 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)cc3Cl)CC2)C1 ZINC001164879328 721263360 /nfs/dbraw/zinc/26/33/60/721263360.db2.gz XZLLUAYAMPKAKN-UHFFFAOYSA-N 1 1 402.326 1.790 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)C1 ZINC001164868841 721263840 /nfs/dbraw/zinc/26/38/40/721263840.db2.gz FNXCJILRDQPAOM-UHFFFAOYSA-N 1 1 417.888 1.682 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccncc43)CC2)C1 ZINC001164869368 721265060 /nfs/dbraw/zinc/26/50/60/721265060.db2.gz LXRSQLJYYMBCPY-UHFFFAOYSA-N 1 1 418.929 1.685 20 0 HDADMO CSc1ncc(Cl)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164870286 721265576 /nfs/dbraw/zinc/26/55/76/721265576.db2.gz VDYGWJSNCAHNDW-UHFFFAOYSA-N 1 1 413.975 1.859 20 0 HDADMO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1F ZINC001164869911 721267738 /nfs/dbraw/zinc/26/77/38/721267738.db2.gz UPSNJYKENMKSQV-UHFFFAOYSA-N 1 1 408.474 1.014 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4ncsc43)CC2)C1 ZINC001164869896 721274689 /nfs/dbraw/zinc/27/46/89/721274689.db2.gz SPPQBTAUMVLTMX-UHFFFAOYSA-N 1 1 424.958 1.747 20 0 HDADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767859 721294550 /nfs/dbraw/zinc/29/45/50/721294550.db2.gz AGHKCSZQQAYYGD-UHFFFAOYSA-N 1 1 401.511 1.412 20 0 HDADMO C[N@@H+](Cc1ccc(N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164882484 721338092 /nfs/dbraw/zinc/33/80/92/721338092.db2.gz FHNXQZWZDOYQFF-CVDCTZTESA-N 1 1 414.550 1.768 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886770 721382707 /nfs/dbraw/zinc/38/27/07/721382707.db2.gz GDXNILMHEHFHIL-LIRRHRJNSA-N 1 1 405.934 1.772 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1 ZINC001164890550 721397371 /nfs/dbraw/zinc/39/73/71/721397371.db2.gz OEYXLGGLJZIBEA-HRAATJIYSA-N 1 1 400.502 1.929 20 0 HDADMO COC(=O)c1cc(OC)cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164892128 721399581 /nfs/dbraw/zinc/39/95/81/721399581.db2.gz RSNLYHUVECLFLY-JTSKRJEESA-N 1 1 418.538 1.642 20 0 HDADMO COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1F ZINC001164893047 721400544 /nfs/dbraw/zinc/40/05/44/721400544.db2.gz ZXBBGHJHLUTESU-KKSFZXQISA-N 1 1 406.502 1.773 20 0 HDADMO COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1F ZINC001164893037 721400607 /nfs/dbraw/zinc/40/06/07/721400607.db2.gz ZXBBGHJHLUTESU-HRAATJIYSA-N 1 1 406.502 1.773 20 0 HDADMO COc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1 ZINC001164889943 721411273 /nfs/dbraw/zinc/41/12/73/721411273.db2.gz RXAXSTICUSANGW-JXFKEZNVSA-N 1 1 407.584 1.973 20 0 HDADMO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164890619 721412411 /nfs/dbraw/zinc/41/24/11/721412411.db2.gz UESUXOJRGBNNGK-NFBKMPQASA-N 1 1 416.566 1.953 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C(N)=O)C3)O2)CC1 ZINC001164888329 721413232 /nfs/dbraw/zinc/41/32/32/721413232.db2.gz OFYKVLAUEMXBEX-YWZLYKJASA-N 1 1 407.946 1.599 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)NC(=O)CO5)C3)O2)CC1 ZINC001164888369 721417614 /nfs/dbraw/zinc/41/76/14/721417614.db2.gz OLGMLQQXHBLKGX-IERDGZPVSA-N 1 1 401.511 1.178 20 0 HDADMO CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888296 721420358 /nfs/dbraw/zinc/42/03/58/721420358.db2.gz NYVVZDODTONKHZ-GCJKJVERSA-N 1 1 417.602 1.826 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1 ZINC001164888288 721421451 /nfs/dbraw/zinc/42/14/51/721421451.db2.gz NYVUEFWNPZCIRZ-VFNWGFHPSA-N 1 1 419.957 1.744 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1 ZINC001164897721 721424347 /nfs/dbraw/zinc/42/43/47/721424347.db2.gz UNUKOPMXAUSCTL-KNQAVFIVSA-N 1 1 400.571 1.842 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1 ZINC001164896789 721429446 /nfs/dbraw/zinc/42/94/46/721429446.db2.gz RZUWPWJWVWSIDD-YLJYHZDGSA-N 1 1 408.568 1.251 20 0 HDADMO COCCOc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164892344 721436901 /nfs/dbraw/zinc/43/69/01/721436901.db2.gz IEYSUEAMESFAHL-NQIIRXRSSA-N 1 1 405.543 1.267 20 0 HDADMO COC(=O)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893673 721441987 /nfs/dbraw/zinc/44/19/87/721441987.db2.gz JXMLSFRTGJWIBD-YWZLYKJASA-N 1 1 423.945 1.682 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1 ZINC001164893101 721446134 /nfs/dbraw/zinc/44/61/34/721446134.db2.gz JAAIWBOVADSTHN-QRWLVFNGSA-N 1 1 407.946 1.599 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1 ZINC001164893099 721446573 /nfs/dbraw/zinc/44/65/73/721446573.db2.gz JAAIWBOVADSTHN-MGPUTAFESA-N 1 1 407.946 1.599 20 0 HDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)n1)CC2 ZINC001164790199 721454701 /nfs/dbraw/zinc/45/47/01/721454701.db2.gz XHTMZXAALSWQPY-SFHVURJKSA-N 1 1 418.538 1.997 20 0 HDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncncc1C(=O)OC)CC2 ZINC001164788659 721460340 /nfs/dbraw/zinc/46/03/40/721460340.db2.gz VJEYTBYMLZYRII-SFHVURJKSA-N 1 1 418.538 1.997 20 0 HDADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806631 721536922 /nfs/dbraw/zinc/53/69/22/721536922.db2.gz PJPCWZWIAOUFLZ-NNMXDRDESA-N 1 1 409.538 1.149 20 0 HDADMO CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907597 721543090 /nfs/dbraw/zinc/54/30/90/721543090.db2.gz NGLQJYIIGALJSD-WMZOPIPTSA-N 1 1 420.510 1.861 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903055 721543574 /nfs/dbraw/zinc/54/35/74/721543574.db2.gz BYKUBENGDUGQMC-WBVHZDCISA-N 1 1 406.483 1.471 20 0 HDADMO Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)C(=O)NC2=O ZINC001164806733 721575150 /nfs/dbraw/zinc/57/51/50/721575150.db2.gz RJYMQQPKTOHFTO-JENIJYKNSA-N 1 1 407.474 1.537 20 0 HDADMO Cc1cc2c(c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)C(=O)NC2=O ZINC001164806733 721575154 /nfs/dbraw/zinc/57/51/54/721575154.db2.gz RJYMQQPKTOHFTO-JENIJYKNSA-N 1 1 407.474 1.537 20 0 HDADMO Clc1nc2nc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912380 721768914 /nfs/dbraw/zinc/76/89/14/721768914.db2.gz LDWAVBGHUXKVFI-IBGZPJMESA-N 1 1 415.885 1.509 20 0 HDADMO Clc1nc2nc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912380 721768916 /nfs/dbraw/zinc/76/89/16/721768916.db2.gz LDWAVBGHUXKVFI-IBGZPJMESA-N 1 1 415.885 1.509 20 0 HDADMO c1nc2c(ncnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1C1CC1 ZINC001164913981 721795559 /nfs/dbraw/zinc/79/55/59/721795559.db2.gz JMMJEIWDSYZQBA-JOCHJYFZSA-N 1 1 421.505 1.664 20 0 HDADMO c1nc2c(ncnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1C1CC1 ZINC001164913981 721795560 /nfs/dbraw/zinc/79/55/60/721795560.db2.gz JMMJEIWDSYZQBA-JOCHJYFZSA-N 1 1 421.505 1.664 20 0 HDADMO CCN(C)c1cc[nH+]c(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)n1 ZINC001164919481 721822470 /nfs/dbraw/zinc/82/24/70/721822470.db2.gz RRZHEVJBXLIGFA-FQEVSTJZSA-N 1 1 418.567 1.805 20 0 HDADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@@H]21 ZINC001165024106 721827699 /nfs/dbraw/zinc/82/76/99/721827699.db2.gz JSWWILXJIMBASI-AYOQOUSVSA-N 1 1 401.536 1.861 20 0 HDADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164925769 721852997 /nfs/dbraw/zinc/85/29/97/721852997.db2.gz FYUXFCJCURCQLU-SJORKVTESA-N 1 1 402.568 1.743 20 0 HDADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164925769 721852998 /nfs/dbraw/zinc/85/29/98/721852998.db2.gz FYUXFCJCURCQLU-SJORKVTESA-N 1 1 402.568 1.743 20 0 HDADMO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)CC1 ZINC001164922699 721869823 /nfs/dbraw/zinc/86/98/23/721869823.db2.gz HSZLBBJQXMMAOV-QZTJIDSGSA-N 1 1 402.543 1.081 20 0 HDADMO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)CC1 ZINC001164922699 721869824 /nfs/dbraw/zinc/86/98/24/721869824.db2.gz HSZLBBJQXMMAOV-QZTJIDSGSA-N 1 1 402.543 1.081 20 0 HDADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164931489 721881247 /nfs/dbraw/zinc/88/12/47/721881247.db2.gz FTPNYRHPYKNDOL-IAGOWNOFSA-N 1 1 400.527 1.127 20 0 HDADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164931489 721881250 /nfs/dbraw/zinc/88/12/50/721881250.db2.gz FTPNYRHPYKNDOL-IAGOWNOFSA-N 1 1 400.527 1.127 20 0 HDADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(S(N)(=O)=O)ccn4)CC3)C2)cc1 ZINC001164940058 721931810 /nfs/dbraw/zinc/93/18/10/721931810.db2.gz PYKYOKITWHOSIH-UHFFFAOYSA-N 1 1 416.547 1.909 20 0 HDADMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1 ZINC001164953310 722010972 /nfs/dbraw/zinc/01/09/72/722010972.db2.gz DXLSNXKZLPDJSM-VGOFRKELSA-N 1 1 417.554 1.954 20 0 HDADMO CN1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)nn2)CC1 ZINC001164959490 722051045 /nfs/dbraw/zinc/05/10/45/722051045.db2.gz LFEALLFUXFABJH-JBYIUTFZSA-N 1 1 409.538 1.529 20 0 HDADMO NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984377 722103308 /nfs/dbraw/zinc/10/33/08/722103308.db2.gz SWZWRTREIVSBGU-QAPCUYQASA-N 1 1 401.898 1.956 20 0 HDADMO COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OC ZINC001164978203 722103725 /nfs/dbraw/zinc/10/37/25/722103725.db2.gz GDNZEGXEKQASLC-YLJYHZDGSA-N 1 1 412.490 1.999 20 0 HDADMO COC(=O)c1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164973162 722158392 /nfs/dbraw/zinc/15/83/92/722158392.db2.gz LMCKNPMZAFWZPJ-SJORKVTESA-N 1 1 413.478 1.394 20 0 HDADMO Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1NCC1CC1 ZINC001164997685 722228759 /nfs/dbraw/zinc/22/87/59/722228759.db2.gz SMBPBFIPPYTLIX-UHFFFAOYSA-N 1 1 408.554 1.754 20 0 HDADMO COC(=O)c1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1OC ZINC001164998138 722229997 /nfs/dbraw/zinc/22/99/97/722229997.db2.gz YKECJZQFMBSDJU-UHFFFAOYSA-N 1 1 412.494 1.024 20 0 HDADMO COC(=O)c1cc(F)c(C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996619 722234035 /nfs/dbraw/zinc/23/40/35/722234035.db2.gz HEMSFQBVMHORAS-UHFFFAOYSA-N 1 1 414.485 1.463 20 0 HDADMO COc1nnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c2ccccc21 ZINC001165001247 722236907 /nfs/dbraw/zinc/23/69/07/722236907.db2.gz FULFBWVNAVSKMQ-UHFFFAOYSA-N 1 1 405.506 1.785 20 0 HDADMO C=Cc1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1OC ZINC001165001901 722237065 /nfs/dbraw/zinc/23/70/65/722237065.db2.gz OQBIOBYDYVPTTE-UHFFFAOYSA-N 1 1 415.929 1.929 20 0 HDADMO CC1CCN(c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)CC1 ZINC001165002195 722237459 /nfs/dbraw/zinc/23/74/59/722237459.db2.gz QTWWPIRLHHPJEG-UHFFFAOYSA-N 1 1 422.581 1.860 20 0 HDADMO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429043765 1073458257 /nfs/dbraw/zinc/45/82/57/1073458257.db2.gz BLXFNBIILUDXFD-SZMVWBNQSA-N 1 1 413.609 1.684 20 0 HDADMO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429043765 1073458262 /nfs/dbraw/zinc/45/82/62/1073458262.db2.gz BLXFNBIILUDXFD-SZMVWBNQSA-N 1 1 413.609 1.684 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000673639498 1073468364 /nfs/dbraw/zinc/46/83/64/1073468364.db2.gz DTGCMGVTMQLQJR-LJQANCHMSA-N 1 1 402.520 1.613 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000673639498 1073468373 /nfs/dbraw/zinc/46/83/73/1073468373.db2.gz DTGCMGVTMQLQJR-LJQANCHMSA-N 1 1 402.520 1.613 20 0 HDADMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000625097553 1073487108 /nfs/dbraw/zinc/48/71/08/1073487108.db2.gz NHNGTWJXDSEMHR-SFHVURJKSA-N 1 1 411.506 1.808 20 0 HDADMO COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000429062641 1073497237 /nfs/dbraw/zinc/49/72/37/1073497237.db2.gz UXXSEGPIDNYFSB-HKUYNNGSSA-N 1 1 409.552 1.732 20 0 HDADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC001299281765 1073503780 /nfs/dbraw/zinc/50/37/80/1073503780.db2.gz SBEZBTOMVSYULC-CQSZACIVSA-N 1 1 404.536 1.252 20 0 HDADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC001299281765 1073503789 /nfs/dbraw/zinc/50/37/89/1073503789.db2.gz SBEZBTOMVSYULC-CQSZACIVSA-N 1 1 404.536 1.252 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)C1 ZINC000671399480 1073506258 /nfs/dbraw/zinc/50/62/58/1073506258.db2.gz TVGPOXLYMPXFPA-OAQYLSRUSA-N 1 1 413.566 1.010 20 0 HDADMO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001299281973 1073515048 /nfs/dbraw/zinc/51/50/48/1073515048.db2.gz VOUAQTDANVEDQV-SJLPKXTDSA-N 1 1 412.575 1.983 20 0 HDADMO COc1ccnc(OC)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001004677846 1073524359 /nfs/dbraw/zinc/52/43/59/1073524359.db2.gz AELPHDUJUMZYNB-QCODTGAPSA-N 1 1 402.495 1.301 20 0 HDADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000625163169 1073527050 /nfs/dbraw/zinc/52/70/50/1073527050.db2.gz GIBRBVNRFMEORZ-UHFFFAOYSA-N 1 1 410.584 1.226 20 0 HDADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671406960 1073533058 /nfs/dbraw/zinc/53/30/58/1073533058.db2.gz RLQVDODFXZGBAX-SJLPKXTDSA-N 1 1 406.571 1.520 20 0 HDADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000625179196 1073546676 /nfs/dbraw/zinc/54/66/76/1073546676.db2.gz MGVFNEHXFJHBCE-HXUWFJFHSA-N 1 1 407.580 1.863 20 0 HDADMO COc1ccc(C(=O)NCCCC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000625182796 1073550868 /nfs/dbraw/zinc/55/08/68/1073550868.db2.gz LKDSRJNFACPHMN-HXUWFJFHSA-N 1 1 403.523 1.919 20 0 HDADMO C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)no1 ZINC001004721784 1073571800 /nfs/dbraw/zinc/57/18/00/1073571800.db2.gz NZAGKZWBKYODHM-UZBAKIRXSA-N 1 1 400.479 1.021 20 0 HDADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000673657317 1073597042 /nfs/dbraw/zinc/59/70/42/1073597042.db2.gz XJGPLHFHJJBBPB-HNAYVOBHSA-N 1 1 402.520 1.832 20 0 HDADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000673657317 1073597049 /nfs/dbraw/zinc/59/70/49/1073597049.db2.gz XJGPLHFHJJBBPB-HNAYVOBHSA-N 1 1 402.520 1.832 20 0 HDADMO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000673661575 1073615512 /nfs/dbraw/zinc/61/55/12/1073615512.db2.gz INFFSGPLSRTXRW-VXKWHMMOSA-N 1 1 400.567 1.565 20 0 HDADMO Cc1noc(C(F)F)c1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000673661082 1073616443 /nfs/dbraw/zinc/61/64/43/1073616443.db2.gz AGIBPPCGDIXNGH-UHFFFAOYSA-N 1 1 413.469 1.231 20 0 HDADMO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673668357 1073620893 /nfs/dbraw/zinc/62/08/93/1073620893.db2.gz LGTYSPBLQPTEFY-JPYJTQIMSA-N 1 1 408.502 1.117 20 0 HDADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670089 1073624806 /nfs/dbraw/zinc/62/48/06/1073624806.db2.gz ZFPFRFBDFFBYCO-HKUYNNGSSA-N 1 1 405.587 1.635 20 0 HDADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670089 1073624812 /nfs/dbraw/zinc/62/48/12/1073624812.db2.gz ZFPFRFBDFFBYCO-HKUYNNGSSA-N 1 1 405.587 1.635 20 0 HDADMO CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670021 1073625467 /nfs/dbraw/zinc/62/54/67/1073625467.db2.gz OIMLDRLBUPUULR-DHIUTWEWSA-N 1 1 414.594 1.904 20 0 HDADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673673690 1073629924 /nfs/dbraw/zinc/62/99/24/1073629924.db2.gz UGEMIDRMJXKRQN-QGZVFWFLSA-N 1 1 414.554 1.462 20 0 HDADMO NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000673673745 1073630031 /nfs/dbraw/zinc/63/00/31/1073630031.db2.gz VYGIRWKXRNVVHA-XMMPIXPASA-N 1 1 407.514 1.669 20 0 HDADMO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673679324 1073633023 /nfs/dbraw/zinc/63/30/23/1073633023.db2.gz YBJVXUOBXLYXES-FPOVZHCZSA-N 1 1 408.502 1.842 20 0 HDADMO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673679324 1073633026 /nfs/dbraw/zinc/63/30/26/1073633026.db2.gz YBJVXUOBXLYXES-FPOVZHCZSA-N 1 1 408.502 1.842 20 0 HDADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673700898 1073643940 /nfs/dbraw/zinc/64/39/40/1073643940.db2.gz XESYACYFZOSMSV-VQTJNVASSA-N 1 1 400.523 1.237 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000673753720 1073688986 /nfs/dbraw/zinc/68/89/86/1073688986.db2.gz QEJGEOJUGCRYKH-MRXNPFEDSA-N 1 1 421.501 1.369 20 0 HDADMO Cc1cc(N2CCC(NC(=O)NCCC3CCS(=O)(=O)CC3)CC2)nc(C)[nH+]1 ZINC000509136951 1073701763 /nfs/dbraw/zinc/70/17/63/1073701763.db2.gz JTQLFLVKHVNFNU-UHFFFAOYSA-N 1 1 409.556 1.576 20 0 HDADMO Cc1cccn2cc(CCNC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)nc12 ZINC000673772935 1073706292 /nfs/dbraw/zinc/70/62/92/1073706292.db2.gz LIYWDQNGLULINN-SFHVURJKSA-N 1 1 400.527 1.427 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000673769736 1073713064 /nfs/dbraw/zinc/71/30/64/1073713064.db2.gz UYRFVYDQRRFZSI-IBGZPJMESA-N 1 1 401.555 1.457 20 0 HDADMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O ZINC000509143466 1073716490 /nfs/dbraw/zinc/71/64/90/1073716490.db2.gz ZGRHSGVRHCKDLQ-UZLBHIALSA-N 1 1 417.531 1.758 20 0 HDADMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O ZINC000509143466 1073716501 /nfs/dbraw/zinc/71/65/01/1073716501.db2.gz ZGRHSGVRHCKDLQ-UZLBHIALSA-N 1 1 417.531 1.758 20 0 HDADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000509144233 1073723106 /nfs/dbraw/zinc/72/31/06/1073723106.db2.gz NZUYKLXBIAVSMH-LEWJYISDSA-N 1 1 416.566 1.245 20 0 HDADMO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCCCCn2cncn2)CCO1 ZINC001108089886 1073766186 /nfs/dbraw/zinc/76/61/86/1073766186.db2.gz PLFHNKHXGQEEIU-FBGLYXIBSA-N 1 1 403.527 1.079 20 0 HDADMO COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000429144888 1073775230 /nfs/dbraw/zinc/77/52/30/1073775230.db2.gz UKBABUBOZLUDBG-SFHVURJKSA-N 1 1 405.543 1.791 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2cnc3c(cnn3C)c2)cc1 ZINC000673826518 1073779796 /nfs/dbraw/zinc/77/97/96/1073779796.db2.gz KTEXVLYWQOQVIV-UHFFFAOYSA-N 1 1 421.505 1.431 20 0 HDADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000429148568 1073781887 /nfs/dbraw/zinc/78/18/87/1073781887.db2.gz CWGOEJYXTWZWIS-QFIPXVFZSA-N 1 1 412.490 1.651 20 0 HDADMO CN(C)C(=O)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000015501296 1073782865 /nfs/dbraw/zinc/78/28/65/1073782865.db2.gz PJHYKHAXUAYLQI-HXUWFJFHSA-N 1 1 417.531 1.627 20 0 HDADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000673831169 1073789539 /nfs/dbraw/zinc/78/95/39/1073789539.db2.gz QHVKARUNYXKSBT-GOSISDBHSA-N 1 1 412.531 1.131 20 0 HDADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000673831169 1073789542 /nfs/dbraw/zinc/78/95/42/1073789542.db2.gz QHVKARUNYXKSBT-GOSISDBHSA-N 1 1 412.531 1.131 20 0 HDADMO CCOC(=O)[C@@H](NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000543489023 1073802000 /nfs/dbraw/zinc/80/20/00/1073802000.db2.gz LHOGADQZBBBKTD-FPOVZHCZSA-N 1 1 403.523 1.279 20 0 HDADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673835086 1073809395 /nfs/dbraw/zinc/80/93/95/1073809395.db2.gz YFMSPJFYZZJVJI-LJQANCHMSA-N 1 1 408.506 1.401 20 0 HDADMO CN(C)c1nc(CNC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cs1 ZINC000673849127 1073815889 /nfs/dbraw/zinc/81/58/89/1073815889.db2.gz GCMBGLQZHQCLQF-UHFFFAOYSA-N 1 1 416.551 1.596 20 0 HDADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCCN3c3ncccn3)c2)CC1 ZINC000673845156 1073820693 /nfs/dbraw/zinc/82/06/93/1073820693.db2.gz VVLRCMCQIPTHRE-IBGZPJMESA-N 1 1 408.506 1.401 20 0 HDADMO COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)c(OC)c1OC ZINC000673846474 1073821218 /nfs/dbraw/zinc/82/12/18/1073821218.db2.gz PLAIVUCCDOFVPB-MRXNPFEDSA-N 1 1 405.495 1.481 20 0 HDADMO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000673863581 1073830522 /nfs/dbraw/zinc/83/05/22/1073830522.db2.gz SFXSFBXJXOCIIY-UHFFFAOYSA-N 1 1 407.478 1.880 20 0 HDADMO COc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1OC ZINC000673876684 1073843113 /nfs/dbraw/zinc/84/31/13/1073843113.db2.gz SMSXVHZKUXRIIO-HNNXBMFYSA-N 1 1 420.510 1.274 20 0 HDADMO O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000673876603 1073843700 /nfs/dbraw/zinc/84/37/00/1073843700.db2.gz HDDIZQPGKXQYIG-HKUYNNGSSA-N 1 1 410.509 1.898 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(F)c(F)cc3Cl)CC2)C1 ZINC000673886061 1073857568 /nfs/dbraw/zinc/85/75/68/1073857568.db2.gz APDRBDHLDSDEPW-GFCCVEGCSA-N 1 1 400.857 1.795 20 0 HDADMO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000673911823 1073883699 /nfs/dbraw/zinc/88/36/99/1073883699.db2.gz GBMWIOCZQMPBNA-JXFKEZNVSA-N 1 1 416.522 1.935 20 0 HDADMO COc1ccccc1C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000673912491 1073885166 /nfs/dbraw/zinc/88/51/66/1073885166.db2.gz JOEKYEMXSADAON-SFTDATJTSA-N 1 1 418.582 1.968 20 0 HDADMO COc1cc(OC)cc(N2CC[C@H](N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)c1 ZINC000673914917 1073886508 /nfs/dbraw/zinc/88/65/08/1073886508.db2.gz GXTXTSDMYXWIQE-UWJYYQICSA-N 1 1 402.539 1.521 20 0 HDADMO COCCNC(=O)C1CC[NH+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000673915009 1073887262 /nfs/dbraw/zinc/88/72/62/1073887262.db2.gz LLGHTFMKTIBXFV-IBGZPJMESA-N 1 1 405.495 1.284 20 0 HDADMO CC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(C)noc1C ZINC000543507714 1073917698 /nfs/dbraw/zinc/91/76/98/1073917698.db2.gz IWNMRYILXKJYOL-GOSISDBHSA-N 1 1 420.535 1.865 20 0 HDADMO COC[C@@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000466561740 1073925725 /nfs/dbraw/zinc/92/57/25/1073925725.db2.gz HCPYWHMTKSZJSJ-LJQANCHMSA-N 1 1 406.502 1.709 20 0 HDADMO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000670432459 1073927142 /nfs/dbraw/zinc/92/71/42/1073927142.db2.gz SLJWQYKKXPFXND-SXLOBPIMSA-N 1 1 403.523 1.013 20 0 HDADMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000030523618 1073936216 /nfs/dbraw/zinc/93/62/16/1073936216.db2.gz ZJOOEMXOXNMECU-FQEVSTJZSA-N 1 1 401.532 1.908 20 0 HDADMO C[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000429176604 1073951518 /nfs/dbraw/zinc/95/15/18/1073951518.db2.gz YDTZOQYFIPLFDO-KPZWWZAWSA-N 1 1 419.532 1.919 20 0 HDADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O ZINC000766044901 1073971689 /nfs/dbraw/zinc/97/16/89/1073971689.db2.gz NSNKYIYZEAVGLJ-OALUTQOASA-N 1 1 401.507 1.569 20 0 HDADMO CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000466573877 1073979759 /nfs/dbraw/zinc/97/97/59/1073979759.db2.gz OJPIJPSNNSSZTL-TXPKVOOTSA-N 1 1 403.527 1.509 20 0 HDADMO CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000466573875 1073979905 /nfs/dbraw/zinc/97/99/05/1073979905.db2.gz OJPIJPSNNSSZTL-GPMSIDNRSA-N 1 1 403.527 1.509 20 0 HDADMO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000058255476 1073988303 /nfs/dbraw/zinc/98/83/03/1073988303.db2.gz VSZVLGXRCPMAOJ-IBGZPJMESA-N 1 1 423.579 1.841 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000466574819 1073993119 /nfs/dbraw/zinc/99/31/19/1073993119.db2.gz QFVBPEJCZOJUTJ-RLLQIKCJSA-N 1 1 401.555 1.931 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000509190008 1074004430 /nfs/dbraw/zinc/00/44/30/1074004430.db2.gz KTSBTAZSQUPPLN-LSDHHAIUSA-N 1 1 415.581 1.621 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000509190008 1074004439 /nfs/dbraw/zinc/00/44/39/1074004439.db2.gz KTSBTAZSQUPPLN-LSDHHAIUSA-N 1 1 415.581 1.621 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000509189618 1074004883 /nfs/dbraw/zinc/00/48/83/1074004883.db2.gz GELCKTJITVXPDU-KSSFIOAISA-N 1 1 415.581 1.478 20 0 HDADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000670446810 1074007292 /nfs/dbraw/zinc/00/72/92/1074007292.db2.gz SFMFJIWMMYNLGE-FQEVSTJZSA-N 1 1 413.543 1.780 20 0 HDADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000670446811 1074007390 /nfs/dbraw/zinc/00/73/90/1074007390.db2.gz SFMFJIWMMYNLGE-HXUWFJFHSA-N 1 1 413.543 1.780 20 0 HDADMO COCCOc1ccc(Cl)cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000673989977 1074011819 /nfs/dbraw/zinc/01/18/19/1074011819.db2.gz YLFRUANZZBRVCW-QGZVFWFLSA-N 1 1 409.914 1.920 20 0 HDADMO CC(C)C[C@@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1 ZINC000509192038 1074025186 /nfs/dbraw/zinc/02/51/86/1074025186.db2.gz OVQXUTIEJAYRCJ-UYAOXDASSA-N 1 1 414.550 1.883 20 0 HDADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000543536478 1074038048 /nfs/dbraw/zinc/03/80/48/1074038048.db2.gz ODPOVZFEKUBDEM-OAHLLOKOSA-N 1 1 422.551 1.184 20 0 HDADMO O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000429196408 1074051817 /nfs/dbraw/zinc/05/18/17/1074051817.db2.gz GHFVNIPEMLVYBW-TZIWHRDSSA-N 1 1 424.549 1.628 20 0 HDADMO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000557927233 1074058870 /nfs/dbraw/zinc/05/88/70/1074058870.db2.gz UCQRIIVSLMOTKQ-JYJNAYRXSA-N 1 1 408.465 1.192 20 0 HDADMO 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1 407.496 1.116 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)C2)cc(OC)c1 ZINC000676250053 1075466478 /nfs/dbraw/zinc/46/64/78/1075466478.db2.gz VIASQGNVGVZRTI-OXFYSEKESA-N 1 1 406.527 1.296 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)C2)cc(OC)c1 ZINC000676250053 1075466488 /nfs/dbraw/zinc/46/64/88/1075466488.db2.gz VIASQGNVGVZRTI-OXFYSEKESA-N 1 1 406.527 1.296 20 0 HDADMO C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676250032 1075466909 /nfs/dbraw/zinc/46/69/09/1075466909.db2.gz KPDUSMZUTNXMNX-IUODEOHRSA-N 1 1 413.316 1.197 20 0 HDADMO C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250032 1075466913 /nfs/dbraw/zinc/46/69/13/1075466913.db2.gz KPDUSMZUTNXMNX-IUODEOHRSA-N 1 1 413.316 1.197 20 0 HDADMO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000731683753 1075467886 /nfs/dbraw/zinc/46/78/86/1075467886.db2.gz GQYFJFOGVSFDGA-HZPDHXFCSA-N 1 1 411.547 1.225 20 0 HDADMO 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O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000022462369 1073564565 /nfs/dbraw/zinc/56/45/65/1073564565.db2.gz VMNPZMSYRSEINN-UHFFFAOYSA-N 1 1 421.563 1.892 20 0 HDADMO COC(=O)C[C@@](C)([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccn1 ZINC000509120953 1073591521 /nfs/dbraw/zinc/59/15/21/1073591521.db2.gz GDEUFAALUPGMSZ-HXUWFJFHSA-N 1 1 405.520 1.911 20 0 HDADMO CN1C(=O)C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000509119419 1073597160 /nfs/dbraw/zinc/59/71/60/1073597160.db2.gz CHMQWGPIKNHNKE-JZXOWHBKSA-N 1 1 421.929 1.251 20 0 HDADMO CN(C)C(=O)CCCC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673658098 1073598318 /nfs/dbraw/zinc/59/83/18/1073598318.db2.gz BVRRGXZMMOZDCX-UHFFFAOYSA-N 1 1 403.527 1.094 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673667418 1073619607 /nfs/dbraw/zinc/61/96/07/1073619607.db2.gz XEGZLNMKRCTFDC-LPHOPBHVSA-N 1 1 411.506 1.137 20 0 HDADMO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000673666772 1073620310 /nfs/dbraw/zinc/62/03/10/1073620310.db2.gz IIXRKOGBNIISPB-INIZCTEOSA-N 1 1 410.540 1.483 20 0 HDADMO CN(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000673673090 1073628005 /nfs/dbraw/zinc/62/80/05/1073628005.db2.gz QIQPKGZMMQINPO-HNAYVOBHSA-N 1 1 412.937 1.605 20 0 HDADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000673692873 1073636919 /nfs/dbraw/zinc/63/69/19/1073636919.db2.gz QMHHBSZCFGGEGV-MRXNPFEDSA-N 1 1 411.524 1.104 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000673682372 1073638145 /nfs/dbraw/zinc/63/81/45/1073638145.db2.gz YTLXQTCTZAWJJX-UYAOXDASSA-N 1 1 423.517 1.910 20 0 HDADMO Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000673683080 1073638956 /nfs/dbraw/zinc/63/89/56/1073638956.db2.gz VPRKXITUEPDTHI-UHFFFAOYSA-N 1 1 408.568 1.323 20 0 HDADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cn(C)nc1I ZINC001128530122 1073643489 /nfs/dbraw/zinc/64/34/89/1073643489.db2.gz QHESCTLKSGODIY-LLVKDONJSA-N 1 1 418.279 1.350 20 0 HDADMO CN(c1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1)S(C)(=O)=O ZINC000673703730 1073644840 /nfs/dbraw/zinc/64/48/40/1073644840.db2.gz DAWDJWZGHAGYMG-SFHVURJKSA-N 1 1 408.568 1.956 20 0 HDADMO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000673707349 1073646145 /nfs/dbraw/zinc/64/61/45/1073646145.db2.gz UUVNNYPIEIJUTG-FKBYEOEOSA-N 1 1 416.566 1.921 20 0 HDADMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000673706160 1073646269 /nfs/dbraw/zinc/64/62/69/1073646269.db2.gz DOOVPDDADNDHOP-QGZVFWFLSA-N 1 1 403.527 1.116 20 0 HDADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000673710391 1073650057 /nfs/dbraw/zinc/65/00/57/1073650057.db2.gz YXTKVYZSDBLXNF-NJDAHSKKSA-N 1 1 405.539 1.940 20 0 HDADMO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001299285400 1073650886 /nfs/dbraw/zinc/65/08/86/1073650886.db2.gz OBGPFELJEKPUEP-KRWDZBQOSA-N 1 1 412.542 1.210 20 0 HDADMO CC(C)(O)C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)C1CCOCC1 ZINC000673713007 1073652684 /nfs/dbraw/zinc/65/26/84/1073652684.db2.gz XMJWTLMCPZLWQX-UHFFFAOYSA-N 1 1 417.550 1.677 20 0 HDADMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000673713580 1073652820 /nfs/dbraw/zinc/65/28/20/1073652820.db2.gz DZQPQDDOUPSJIP-APWZRJJASA-N 1 1 416.547 1.867 20 0 HDADMO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Br)nn2C)c1 ZINC000785470662 1073655164 /nfs/dbraw/zinc/65/51/64/1073655164.db2.gz MAKTTWRUEUWJRN-UHFFFAOYSA-N 1 1 417.329 1.397 20 0 HDADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429117892 1073672330 /nfs/dbraw/zinc/67/23/30/1073672330.db2.gz WABYNNNOZMSZOH-MRXNPFEDSA-N 1 1 405.543 1.792 20 0 HDADMO CCC[C@H]1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCO1 ZINC000509130566 1073680716 /nfs/dbraw/zinc/68/07/16/1073680716.db2.gz YGDLUWYGNFYZBW-PMACEKPBSA-N 1 1 409.571 1.659 20 0 HDADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2CC1 ZINC000946689583 1073687521 /nfs/dbraw/zinc/68/75/21/1073687521.db2.gz GBBKTZZFFGYTNN-OSFNYYGPSA-N 1 1 401.551 1.593 20 0 HDADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1 ZINC000673754681 1073688878 /nfs/dbraw/zinc/68/88/78/1073688878.db2.gz CSOAANUQSSGFNB-UHFFFAOYSA-N 1 1 402.539 1.233 20 0 HDADMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673757832 1073696770 /nfs/dbraw/zinc/69/67/70/1073696770.db2.gz HERFFHITTCVVGB-OAHLLOKOSA-N 1 1 407.522 1.989 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000673758734 1073698227 /nfs/dbraw/zinc/69/82/27/1073698227.db2.gz SIEJWRLHOIGARG-KRWDZBQOSA-N 1 1 416.547 1.869 20 0 HDADMO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000429134470 1073738424 /nfs/dbraw/zinc/73/84/24/1073738424.db2.gz KFKJTJCDBGOXSW-IRXDYDNUSA-N 1 1 411.572 1.123 20 0 HDADMO C[C@@H](CCNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000673788213 1073742575 /nfs/dbraw/zinc/74/25/75/1073742575.db2.gz BSJPQXPKWWSLAG-AWEZNQCLSA-N 1 1 400.454 1.890 20 0 HDADMO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000429138155 1073746639 /nfs/dbraw/zinc/74/66/39/1073746639.db2.gz DPKORYVECMNYEL-WMZOPIPTSA-N 1 1 421.563 1.596 20 0 HDADMO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000429138155 1073746652 /nfs/dbraw/zinc/74/66/52/1073746652.db2.gz DPKORYVECMNYEL-WMZOPIPTSA-N 1 1 421.563 1.596 20 0 HDADMO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000429153241 1073793724 /nfs/dbraw/zinc/79/37/24/1073793724.db2.gz CMAIJRXCNZYSEE-ZDUSSCGKSA-N 1 1 402.417 1.817 20 0 HDADMO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000429153241 1073793741 /nfs/dbraw/zinc/79/37/41/1073793741.db2.gz CMAIJRXCNZYSEE-ZDUSSCGKSA-N 1 1 402.417 1.817 20 0 HDADMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](CC(N)=O)C3CCOCC3)s2)cc1 ZINC000543490408 1073795824 /nfs/dbraw/zinc/79/58/24/1073795824.db2.gz DHFRBZMWDOIKNX-INIZCTEOSA-N 1 1 417.535 1.537 20 0 HDADMO Cc1nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673834445 1073807758 /nfs/dbraw/zinc/80/77/58/1073807758.db2.gz WHBZFEQGMJAQPO-UHFFFAOYSA-N 1 1 414.436 1.905 20 0 HDADMO Cc1nc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000673834445 1073807767 /nfs/dbraw/zinc/80/77/67/1073807767.db2.gz WHBZFEQGMJAQPO-UHFFFAOYSA-N 1 1 414.436 1.905 20 0 HDADMO Cc1nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000673834445 1073807778 /nfs/dbraw/zinc/80/77/78/1073807778.db2.gz WHBZFEQGMJAQPO-UHFFFAOYSA-N 1 1 414.436 1.905 20 0 HDADMO C[N@@H+](CCN1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1 ZINC000673835979 1073811483 /nfs/dbraw/zinc/81/14/83/1073811483.db2.gz OCZQZJJFADBUJH-OAQYLSRUSA-N 1 1 408.550 1.722 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCCN3c3ncccn3)c2)C1 ZINC000673837997 1073812633 /nfs/dbraw/zinc/81/26/33/1073812633.db2.gz QNLWEMLSRKMMAG-VQTJNVASSA-N 1 1 422.533 1.459 20 0 HDADMO CN(CCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000673849021 1073815648 /nfs/dbraw/zinc/81/56/48/1073815648.db2.gz FQNUNPXXIXTXNM-OAQYLSRUSA-N 1 1 422.595 1.966 20 0 HDADMO CN(CCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000673849020 1073815873 /nfs/dbraw/zinc/81/58/73/1073815873.db2.gz FQNUNPXXIXTXNM-NRFANRHFSA-N 1 1 422.595 1.966 20 0 HDADMO CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000673872273 1073837577 /nfs/dbraw/zinc/83/75/77/1073837577.db2.gz AZWKAJZUFIVWSN-UHFFFAOYSA-N 1 1 416.570 1.338 20 0 HDADMO CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673872334 1073838032 /nfs/dbraw/zinc/83/80/32/1073838032.db2.gz DUVJQMPJTRIKIC-OAHLLOKOSA-N 1 1 403.527 1.470 20 0 HDADMO COCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000673915010 1073887294 /nfs/dbraw/zinc/88/72/94/1073887294.db2.gz LLGHTFMKTIBXFV-LJQANCHMSA-N 1 1 405.495 1.284 20 0 HDADMO CCOC[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000673916045 1073887778 /nfs/dbraw/zinc/88/77/78/1073887778.db2.gz UFFBXCDEXHZPHK-GOSISDBHSA-N 1 1 417.554 1.787 20 0 HDADMO Cc1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673935791 1073908516 /nfs/dbraw/zinc/90/85/16/1073908516.db2.gz STWPMLPTSISQIT-UNMCSNQZSA-N 1 1 403.486 1.952 20 0 HDADMO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C3)CC[N@H+]1C ZINC001004869336 1073917223 /nfs/dbraw/zinc/91/72/23/1073917223.db2.gz GPQMBXRWYBIEEB-JJTUDDRGSA-N 1 1 401.511 1.391 20 0 HDADMO Cc1c(C(=O)NC[C@@H](O)COCC(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673944124 1073918432 /nfs/dbraw/zinc/91/84/32/1073918432.db2.gz FDYVBNYUXKRZQK-QGZVFWFLSA-N 1 1 401.511 1.327 20 0 HDADMO CCCCn1c(N)c(N(CC)C(=O)C[NH2+]C(C)(C)c2ncc(C)s2)c(=O)[nH]c1=O ZINC000543509815 1073923971 /nfs/dbraw/zinc/92/39/71/1073923971.db2.gz VDEOEEJTUOZMNJ-UHFFFAOYSA-N 1 1 422.555 1.974 20 0 HDADMO COc1ccc2cc(CN(C)C(=O)C[N@H+](CCO)CCN3CCOCC3)ccc2c1 ZINC000484375067 1073955702 /nfs/dbraw/zinc/95/57/02/1073955702.db2.gz HAWWTYKBARJPLR-UHFFFAOYSA-N 1 1 415.534 1.433 20 0 HDADMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](CCO)CCN3CCOCC3)ccc2c1 ZINC000484375067 1073955705 /nfs/dbraw/zinc/95/57/05/1073955705.db2.gz HAWWTYKBARJPLR-UHFFFAOYSA-N 1 1 415.534 1.433 20 0 HDADMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000543518213 1073963883 /nfs/dbraw/zinc/96/38/83/1073963883.db2.gz HLDGQHGKOKTDQF-SNVBAGLBSA-N 1 1 407.496 1.663 20 0 HDADMO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000543518646 1073974775 /nfs/dbraw/zinc/97/47/75/1073974775.db2.gz YCTCMSOCQHCUFL-QWHCGFSZSA-N 1 1 410.434 1.888 20 0 HDADMO COc1ccccc1CCNC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543521542 1073979896 /nfs/dbraw/zinc/97/98/96/1073979896.db2.gz AHCBCMUUNHCSRV-UHFFFAOYSA-N 1 1 402.583 1.703 20 0 HDADMO CN1CC[NH+](CC2(C)CCN(CC3=Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000543521243 1073985770 /nfs/dbraw/zinc/98/57/70/1073985770.db2.gz MHJDUPOUNNLENF-UHFFFAOYSA-N 1 1 405.568 1.358 20 0 HDADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429184369 1074000723 /nfs/dbraw/zinc/00/07/23/1074000723.db2.gz BFZQFASZJWJEBF-IBGZPJMESA-N 1 1 401.559 1.257 20 0 HDADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452958 1074011526 /nfs/dbraw/zinc/01/15/26/1074011526.db2.gz NXQUIFGALMYAOP-DBXWQHBBSA-N 1 1 407.530 1.373 20 0 HDADMO C[C@@H]1C[NH+](C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452958 1074011537 /nfs/dbraw/zinc/01/15/37/1074011537.db2.gz NXQUIFGALMYAOP-DBXWQHBBSA-N 1 1 407.530 1.373 20 0 HDADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](NC(=O)NC)C3)cc2)CC1 ZINC000466584920 1074017018 /nfs/dbraw/zinc/01/70/18/1074017018.db2.gz LTDJBTZCZMECLR-LJQANCHMSA-N 1 1 402.543 1.037 20 0 HDADMO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CCOC)c2)C3)CC[N@H+]1C ZINC001005062802 1074028623 /nfs/dbraw/zinc/02/86/23/1074028623.db2.gz YHYKMWXQSLHHQZ-ZRSRNVLSSA-N 1 1 403.527 1.122 20 0 HDADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000466584093 1074030822 /nfs/dbraw/zinc/03/08/22/1074030822.db2.gz JMQFCZIQSDDOQQ-IBGZPJMESA-N 1 1 402.543 1.037 20 0 HDADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466584161 1074031399 /nfs/dbraw/zinc/03/13/99/1074031399.db2.gz HHCBJDGDLXNCHJ-HOTGVXAUSA-N 1 1 411.428 1.699 20 0 HDADMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000429191441 1074034167 /nfs/dbraw/zinc/03/41/67/1074034167.db2.gz GYZYRBAGVMKSFN-WOJBJXKFSA-N 1 1 410.522 1.380 20 0 HDADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000466589067 1074040588 /nfs/dbraw/zinc/04/05/88/1074040588.db2.gz VQFDHECIXUYIKD-OXJNMPFZSA-N 1 1 420.579 1.763 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000466595522 1074049678 /nfs/dbraw/zinc/04/96/78/1074049678.db2.gz IKLHDTQNGXXQML-FGTMMUONSA-N 1 1 402.543 1.326 20 0 HDADMO CNS(=O)(=O)N1CCC(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000509199551 1074063667 /nfs/dbraw/zinc/06/36/67/1074063667.db2.gz YEWIJYOASZCKRM-UHFFFAOYSA-N 1 1 422.595 1.330 20 0 HDADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)cc2)CC1 ZINC000543550450 1074071637 /nfs/dbraw/zinc/07/16/37/1074071637.db2.gz UUVUABHFGNTYGV-FQEVSTJZSA-N 1 1 424.501 1.818 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CC23CCOCC3)cc1 ZINC000674014275 1074072153 /nfs/dbraw/zinc/07/21/53/1074072153.db2.gz GTIZISURYVLQNM-LJQANCHMSA-N 1 1 400.523 1.652 20 0 HDADMO C[NH+]1CCN([C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c2cccs2)CC1 ZINC000674027571 1074094097 /nfs/dbraw/zinc/09/40/97/1074094097.db2.gz OQKHBLJVGNSHNS-AWEZNQCLSA-N 1 1 402.586 1.159 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1 ZINC000674033477 1074101478 /nfs/dbraw/zinc/10/14/78/1074101478.db2.gz KVIMROYRANWWSH-RDTXWAMCSA-N 1 1 402.474 1.484 20 0 HDADMO O=C(NCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cnccn1 ZINC000509209358 1074132087 /nfs/dbraw/zinc/13/20/87/1074132087.db2.gz GROCYKHCHMRFLU-INIZCTEOSA-N 1 1 403.433 1.480 20 0 HDADMO CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2)C1 ZINC000059297525 1074135417 /nfs/dbraw/zinc/13/54/17/1074135417.db2.gz HSBZOPSTGWPHGY-OAQYLSRUSA-N 1 1 423.565 1.687 20 0 HDADMO CC(C)(c1nnc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)o1)S(C)(=O)=O ZINC001168752258 1074146526 /nfs/dbraw/zinc/14/65/26/1074146526.db2.gz HADVRNQASXAYBE-CQSZACIVSA-N 1 1 410.471 1.145 20 0 HDADMO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229623946 1074147037 /nfs/dbraw/zinc/14/70/37/1074147037.db2.gz NKKVSOUQOBYANO-LSDHHAIUSA-N 1 1 424.542 1.590 20 0 HDADMO CC[N@H+]1CCC[C@H](CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)C1 ZINC000543581486 1074168552 /nfs/dbraw/zinc/16/85/52/1074168552.db2.gz KUROLNUDKPKILQ-MRXNPFEDSA-N 1 1 412.556 1.731 20 0 HDADMO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000674062252 1074176372 /nfs/dbraw/zinc/17/63/72/1074176372.db2.gz IWIXHSYEAHRUBF-GOSISDBHSA-N 1 1 417.554 1.403 20 0 HDADMO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001626098350 1074182201 /nfs/dbraw/zinc/18/22/01/1074182201.db2.gz DLHNHPNSXPBCFW-OAHLLOKOSA-N 1 1 410.540 1.343 20 0 HDADMO Cc1cc(N2CCC(NC(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)nc(C)[nH+]1 ZINC000674132613 1074187911 /nfs/dbraw/zinc/18/79/11/1074187911.db2.gz CABLIRVZXXLWQT-UHFFFAOYSA-N 1 1 408.462 1.695 20 0 HDADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674149903 1074198748 /nfs/dbraw/zinc/19/87/48/1074198748.db2.gz JRGVNMLYBCHLOE-RTBURBONSA-N 1 1 408.568 1.622 20 0 HDADMO CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000674222933 1074232022 /nfs/dbraw/zinc/23/20/22/1074232022.db2.gz BDOOHNUXMRIZPM-FUHWJXTLSA-N 1 1 418.538 1.316 20 0 HDADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000674222333 1074232842 /nfs/dbraw/zinc/23/28/42/1074232842.db2.gz PZYKOWGUGLZAPN-SFHVURJKSA-N 1 1 412.490 1.514 20 0 HDADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000674225761 1074233493 /nfs/dbraw/zinc/23/34/93/1074233493.db2.gz BAZCFLOSFWQWID-INIZCTEOSA-N 1 1 409.490 1.328 20 0 HDADMO C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000674225763 1074233655 /nfs/dbraw/zinc/23/36/55/1074233655.db2.gz BAZCFLOSFWQWID-MRXNPFEDSA-N 1 1 409.490 1.328 20 0 HDADMO O=C(Nc1cc(F)ccc1N1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000674229392 1074235931 /nfs/dbraw/zinc/23/59/31/1074235931.db2.gz LRZRJABIBIBIFU-QGZVFWFLSA-N 1 1 418.513 1.935 20 0 HDADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000140845203 1074242228 /nfs/dbraw/zinc/24/22/28/1074242228.db2.gz OMXODJTWVVENBA-MRXNPFEDSA-N 1 1 408.543 1.304 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1 ZINC000674299634 1074263683 /nfs/dbraw/zinc/26/36/83/1074263683.db2.gz RORBQLQILHIWPI-OALUTQOASA-N 1 1 419.957 1.867 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000674326522 1074276321 /nfs/dbraw/zinc/27/63/21/1074276321.db2.gz MXAAEKZXOCFBNF-SJLPKXTDSA-N 1 1 417.531 1.882 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000674326524 1074277001 /nfs/dbraw/zinc/27/70/01/1074277001.db2.gz MXAAEKZXOCFBNF-WMZOPIPTSA-N 1 1 417.531 1.882 20 0 HDADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](C)C3CC3)cc2)CC1 ZINC000674321229 1074281802 /nfs/dbraw/zinc/28/18/02/1074281802.db2.gz XBOXKSAAOUREJJ-INIZCTEOSA-N 1 1 400.523 1.494 20 0 HDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1 ZINC000674428390 1074317030 /nfs/dbraw/zinc/31/70/30/1074317030.db2.gz XCWJOEGEMQJWKT-DLRJPAPCSA-N 1 1 407.559 1.764 20 0 HDADMO CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1 ZINC000674424336 1074325560 /nfs/dbraw/zinc/32/55/60/1074325560.db2.gz KMBZVRHJMSZFCH-QWRGUYRKSA-N 1 1 404.355 1.579 20 0 HDADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1ccccc1N ZINC000670472471 1074340473 /nfs/dbraw/zinc/34/04/73/1074340473.db2.gz OCIMPYDTXFBFDC-SFHVURJKSA-N 1 1 416.547 1.528 20 0 HDADMO C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+](C)Cc1ccccc1 ZINC000674432032 1074342598 /nfs/dbraw/zinc/34/25/98/1074342598.db2.gz GEQWKDKXGNHVPG-QLVMHMETSA-N 1 1 401.511 1.527 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674432867 1074343836 /nfs/dbraw/zinc/34/38/36/1074343836.db2.gz PRWMZIZEVYSPNK-CDMIOBSGSA-N 1 1 413.522 1.623 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674432867 1074343843 /nfs/dbraw/zinc/34/38/43/1074343843.db2.gz PRWMZIZEVYSPNK-CDMIOBSGSA-N 1 1 413.522 1.623 20 0 HDADMO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000674479499 1074379303 /nfs/dbraw/zinc/37/93/03/1074379303.db2.gz VBVNNCWWOYTKFF-IAGOWNOFSA-N 1 1 415.538 1.092 20 0 HDADMO COc1cc(NC(=O)CC[N@@H+](C)CCN2CCCS2(=O)=O)cc(OC)c1OC ZINC000674496469 1074407425 /nfs/dbraw/zinc/40/74/25/1074407425.db2.gz XCBATZDEONXNMG-UHFFFAOYSA-N 1 1 415.512 1.008 20 0 HDADMO COc1ccc(-c2n[nH]cc2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC001626101394 1074416946 /nfs/dbraw/zinc/41/69/46/1074416946.db2.gz OVYLCJHSSYRESO-UHFFFAOYSA-N 1 1 400.479 1.697 20 0 HDADMO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C[C@@H]2C)CC1 ZINC000674535409 1074424722 /nfs/dbraw/zinc/42/47/22/1074424722.db2.gz BZMHVDJEFJHRJN-WDYCEAGBSA-N 1 1 404.511 1.045 20 0 HDADMO CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCCC1 ZINC000674567281 1074443219 /nfs/dbraw/zinc/44/32/19/1074443219.db2.gz LIFUEVYOMRASLP-INIZCTEOSA-N 1 1 415.943 1.085 20 0 HDADMO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000674582310 1074459993 /nfs/dbraw/zinc/45/99/93/1074459993.db2.gz VAJNSKDKEDRAOJ-CEQIKUNHSA-N 1 1 402.470 1.627 20 0 HDADMO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000674582310 1074459996 /nfs/dbraw/zinc/45/99/96/1074459996.db2.gz VAJNSKDKEDRAOJ-CEQIKUNHSA-N 1 1 402.470 1.627 20 0 HDADMO CC(C)(C)OCc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000674586312 1074466640 /nfs/dbraw/zinc/46/66/40/1074466640.db2.gz MWZVYVPALAFEIR-KRWDZBQOSA-N 1 1 418.538 1.644 20 0 HDADMO Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000509230961 1074473314 /nfs/dbraw/zinc/47/33/14/1074473314.db2.gz CKXXPDKXNPNJKX-CBQGHPETSA-N 1 1 412.578 1.732 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000674595207 1074474310 /nfs/dbraw/zinc/47/43/10/1074474310.db2.gz TWXGAIZCBYIGEL-AEFFLSMTSA-N 1 1 402.470 1.533 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1 ZINC000674630612 1074495439 /nfs/dbraw/zinc/49/54/39/1074495439.db2.gz FJUNYWPBJKKZBY-FUHWJXTLSA-N 1 1 420.558 1.884 20 0 HDADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1 ZINC000674630613 1074495602 /nfs/dbraw/zinc/49/56/02/1074495602.db2.gz FJUNYWPBJKKZBY-SJLPKXTDSA-N 1 1 420.558 1.884 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCOC2CCOCC2)cc1 ZINC000674658037 1074505310 /nfs/dbraw/zinc/50/53/10/1074505310.db2.gz DUWIGYHUWWWJOZ-UHFFFAOYSA-N 1 1 418.538 1.421 20 0 HDADMO CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000674684441 1074522821 /nfs/dbraw/zinc/52/28/21/1074522821.db2.gz DFFWIJKHCIHDCN-QGZVFWFLSA-N 1 1 405.520 1.971 20 0 HDADMO 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C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676251006 1075467529 /nfs/dbraw/zinc/46/75/29/1075467529.db2.gz NLPSTASSZLUFMT-APHBMKBZSA-N 1 1 414.428 1.829 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676251006 1075467534 /nfs/dbraw/zinc/46/75/34/1075467534.db2.gz NLPSTASSZLUFMT-APHBMKBZSA-N 1 1 414.428 1.829 20 0 HDADMO C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676250483 1075467942 /nfs/dbraw/zinc/46/79/42/1075467942.db2.gz ZFDSUJWDONZFHY-MAUKXSAKSA-N 1 1 413.540 1.220 20 0 HDADMO C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250483 1075467945 /nfs/dbraw/zinc/46/79/45/1075467945.db2.gz ZFDSUJWDONZFHY-MAUKXSAKSA-N 1 1 413.540 1.220 20 0 HDADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683655 1075468193 /nfs/dbraw/zinc/46/81/93/1075468193.db2.gz IJDWWFKDPAPEKQ-FXAWDEMLSA-N 1 1 422.595 1.630 20 0 HDADMO Cc1cnc(NC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000048053967 1075468848 /nfs/dbraw/zinc/46/88/48/1075468848.db2.gz UEBXOYLEKAEUHK-UHFFFAOYSA-N 1 1 403.508 2.434 20 0 HDADMO CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000543666717 1075469222 /nfs/dbraw/zinc/46/92/22/1075469222.db2.gz BQNJMRXCARVGAL-QHAWAJNXSA-N 1 1 402.539 1.392 20 0 HDADMO CC[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000543666717 1075469227 /nfs/dbraw/zinc/46/92/27/1075469227.db2.gz BQNJMRXCARVGAL-QHAWAJNXSA-N 1 1 402.539 1.392 20 0 HDADMO CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000434931785 1075469839 /nfs/dbraw/zinc/46/98/39/1075469839.db2.gz DPAZBNYJYIPRTK-HZPDHXFCSA-N 1 1 414.510 2.370 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676252661 1075469969 /nfs/dbraw/zinc/46/99/69/1075469969.db2.gz ROVYKRGOZJEHSI-GWZYHKFFSA-N 1 1 418.582 1.776 20 0 HDADMO 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C[C@H](NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676294063 1075497344 /nfs/dbraw/zinc/49/73/44/1075497344.db2.gz VVYNLPACPLHLKW-IPELMVKDSA-N 1 1 404.511 1.114 20 0 HDADMO CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000676297261 1075500093 /nfs/dbraw/zinc/50/00/93/1075500093.db2.gz YXKMVGMODCQHQP-VQIMIIECSA-N 1 1 407.584 1.546 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000676303989 1075501990 /nfs/dbraw/zinc/50/19/90/1075501990.db2.gz IOCRODKGRVFPSN-ZOWXZIJZSA-N 1 1 406.310 1.751 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303989 1075501992 /nfs/dbraw/zinc/50/19/92/1075501992.db2.gz IOCRODKGRVFPSN-ZOWXZIJZSA-N 1 1 406.310 1.751 20 0 HDADMO O=C(Cc1ccccc1Cl)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676307980 1075505163 /nfs/dbraw/zinc/50/51/63/1075505163.db2.gz ITTQDCUGOBZJNG-UHFFFAOYSA-N 1 1 401.898 1.858 20 0 HDADMO 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C[C@@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000676712731 1075657937 /nfs/dbraw/zinc/65/79/37/1075657937.db2.gz KOKAGAJWLHKQJA-QGZVFWFLSA-N 1 1 421.563 1.119 20 0 HDADMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676723350 1075660012 /nfs/dbraw/zinc/66/00/12/1075660012.db2.gz IRQCLTCMQVQOKF-QRVBRYPASA-N 1 1 414.550 1.434 20 0 HDADMO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000676730221 1075663517 /nfs/dbraw/zinc/66/35/17/1075663517.db2.gz MFOFMWFNIPTEIF-CQSZACIVSA-N 1 1 419.544 1.738 20 0 HDADMO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000554849533 1075666961 /nfs/dbraw/zinc/66/69/61/1075666961.db2.gz ZFVAIVIUZQKTQL-DLBZAZTESA-N 1 1 412.513 2.115 20 0 HDADMO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000732211821 1075667566 /nfs/dbraw/zinc/66/75/66/1075667566.db2.gz HCOMBCZNXORBTC-HXUWFJFHSA-N 1 1 412.534 1.672 20 0 HDADMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000732211821 1075667572 /nfs/dbraw/zinc/66/75/72/1075667572.db2.gz HCOMBCZNXORBTC-HXUWFJFHSA-N 1 1 412.534 1.672 20 0 HDADMO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000732211208 1075668442 /nfs/dbraw/zinc/66/84/42/1075668442.db2.gz ORBOXKOFOXBRSP-OAHLLOKOSA-N 1 1 402.451 1.540 20 0 HDADMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000732211208 1075668445 /nfs/dbraw/zinc/66/84/45/1075668445.db2.gz ORBOXKOFOXBRSP-OAHLLOKOSA-N 1 1 402.451 1.540 20 0 HDADMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000732213348 1075669495 /nfs/dbraw/zinc/66/94/95/1075669495.db2.gz SLWOACNCUKLZBU-SFHVURJKSA-N 1 1 402.495 1.958 20 0 HDADMO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000732213348 1075669498 /nfs/dbraw/zinc/66/94/98/1075669498.db2.gz SLWOACNCUKLZBU-SFHVURJKSA-N 1 1 402.495 1.958 20 0 HDADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 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/nfs/dbraw/zinc/67/73/28/1075677328.db2.gz HUALXRWINPAJAM-JOCHJYFZSA-N 1 1 412.534 1.975 20 0 HDADMO COc1cccc([C@H](O)CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000732245250 1075679424 /nfs/dbraw/zinc/67/94/24/1075679424.db2.gz WOVZPWOKLQZFBD-OAQYLSRUSA-N 1 1 413.522 1.635 20 0 HDADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1CN1C(=O)CNC1=O ZINC000732232453 1075684782 /nfs/dbraw/zinc/68/47/82/1075684782.db2.gz CUPQTEMSVMBJQQ-MRXNPFEDSA-N 1 1 403.483 1.097 20 0 HDADMO C[C@@H](c1ccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc1)[NH+]1CCOCC1 ZINC000485033687 1075685621 /nfs/dbraw/zinc/68/56/21/1075685621.db2.gz MFADOWLTHZEFTM-AWEZNQCLSA-N 1 1 417.539 1.868 20 0 HDADMO CCCCCC[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000732263181 1075689430 /nfs/dbraw/zinc/68/94/30/1075689430.db2.gz LAHRXOCGPUZAJB-UHFFFAOYSA-N 1 1 417.597 1.897 20 0 HDADMO C[C@H](C(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000732271464 1075690825 /nfs/dbraw/zinc/69/08/25/1075690825.db2.gz XZECVKBEBJTYRD-QGZVFWFLSA-N 1 1 401.532 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421.541 1.922 20 0 HDADMO O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)N1CCc2ccccc21 ZINC001084993175 1075699692 /nfs/dbraw/zinc/69/96/92/1075699692.db2.gz PLTZXQCFWIPJJQ-AIDPKXPDSA-N 1 1 421.541 1.922 20 0 HDADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000509437663 1075700012 /nfs/dbraw/zinc/70/00/12/1075700012.db2.gz KRAISBNYWKJXMD-ICSRJNTNSA-N 1 1 402.539 1.197 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3O)c2)C1 ZINC000732289448 1075700390 /nfs/dbraw/zinc/70/03/90/1075700390.db2.gz GPFKLJUVQPPOMI-QGZVFWFLSA-N 1 1 419.485 1.963 20 0 HDADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000515274613 1075700711 /nfs/dbraw/zinc/70/07/11/1075700711.db2.gz CEOQXEKFHNDDQG-QGZVFWFLSA-N 1 1 411.506 1.582 20 0 HDADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000491515944 1075700803 /nfs/dbraw/zinc/70/08/03/1075700803.db2.gz VXGOBSYTFSLLBO-BXUZGUMPSA-N 1 1 422.411 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C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)c2)CCO1 ZINC000520667871 1075703836 /nfs/dbraw/zinc/70/38/36/1075703836.db2.gz RCIVZIGWEVKRGV-OAHLLOKOSA-N 1 1 411.506 1.773 20 0 HDADMO CCC[C@@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC[N@H+]1CCOC ZINC000501586827 1075705228 /nfs/dbraw/zinc/70/52/28/1075705228.db2.gz CWXNVHFLBUOEHP-MRXNPFEDSA-N 1 1 403.531 1.215 20 0 HDADMO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509436561 1075710589 /nfs/dbraw/zinc/71/05/89/1075710589.db2.gz GKFRMDVGNGFJKZ-BJLQDIEVSA-N 1 1 402.539 1.075 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CCO ZINC000509438652 1075715969 /nfs/dbraw/zinc/71/59/69/1075715969.db2.gz NAWKMCXGLYGTLH-AZUAARDMSA-N 1 1 402.539 1.077 20 0 HDADMO C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512461891 1075717051 /nfs/dbraw/zinc/71/70/51/1075717051.db2.gz GJQDOMCMRBQNRI-MJGOQNOKSA-N 1 1 410.570 1.473 20 0 HDADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225699 1075720332 /nfs/dbraw/zinc/72/03/32/1075720332.db2.gz LLPXMWVGUYMXKV-KXBFYZLASA-N 1 1 409.538 1.522 20 0 HDADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264336 1075720355 /nfs/dbraw/zinc/72/03/55/1075720355.db2.gz GCOXLHLWZYTFRK-HOCLYGCPSA-N 1 1 401.540 1.472 20 0 HDADMO O=C(COC(=O)[C@H]1CNC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000732360587 1075723228 /nfs/dbraw/zinc/72/32/28/1075723228.db2.gz HILNORADLNGZKI-LJQANCHMSA-N 1 1 422.485 1.145 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@H+]1Cc1ccccc1 ZINC000429257065 1075723325 /nfs/dbraw/zinc/72/33/25/1075723325.db2.gz NBCQDZYWVIXRLA-ZBFHGGJFSA-N 1 1 422.489 2.161 20 0 HDADMO CN(C)CC[NH+]1CCC(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)CC1 ZINC000443643542 1075723662 /nfs/dbraw/zinc/72/36/62/1075723662.db2.gz BJKHCKJIZCKAGX-UHFFFAOYSA-N 1 1 411.554 1.881 20 0 HDADMO 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CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C4CCOCC4)CC3)ccc21 ZINC000673825779 1073771301 /nfs/dbraw/zinc/77/13/01/1073771301.db2.gz UTHIUVOHLZNTOH-UHFFFAOYSA-N 1 1 407.536 1.471 20 0 HDADMO Cc1ccc(F)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001004788894 1073816213 /nfs/dbraw/zinc/81/62/13/1073816213.db2.gz RGCRRUGSJWOBEJ-TVFZMDHNSA-N 1 1 403.498 1.644 20 0 HDADMO Cc1ccc(F)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001004788894 1073816224 /nfs/dbraw/zinc/81/62/24/1073816224.db2.gz RGCRRUGSJWOBEJ-TVFZMDHNSA-N 1 1 403.498 1.644 20 0 HDADMO CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673872333 1073837994 /nfs/dbraw/zinc/83/79/94/1073837994.db2.gz DUVJQMPJTRIKIC-HNNXBMFYSA-N 1 1 403.527 1.470 20 0 HDADMO C[C@@H](c1ccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)cc1)[NH+]1CCOCC1 ZINC000673887832 1073847972 /nfs/dbraw/zinc/84/79/72/1073847972.db2.gz UUAMIFUDJDDDEY-AWEZNQCLSA-N 1 1 417.535 1.857 20 0 HDADMO 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CCOc1cc(NC2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)ncn1 ZINC000466560945 1073918773 /nfs/dbraw/zinc/91/87/73/1073918773.db2.gz BRXWCCIXJPTUNS-GOSISDBHSA-N 1 1 420.558 1.818 20 0 HDADMO CNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030512763 1073935284 /nfs/dbraw/zinc/93/52/84/1073935284.db2.gz PEADAWDGMIPWKQ-GOSISDBHSA-N 1 1 409.534 1.943 20 0 HDADMO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000429176607 1073951488 /nfs/dbraw/zinc/95/14/88/1073951488.db2.gz YDTZOQYFIPLFDO-XIKOKIGWSA-N 1 1 419.532 1.919 20 0 HDADMO CO[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[C@H]1C ZINC000466566618 1073953393 /nfs/dbraw/zinc/95/33/93/1073953393.db2.gz KZLLMHSSACUDAI-APWZRJJASA-N 1 1 424.567 1.902 20 0 HDADMO CO[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[C@H]1C ZINC000466566618 1073953400 /nfs/dbraw/zinc/95/34/00/1073953400.db2.gz KZLLMHSSACUDAI-APWZRJJASA-N 1 1 424.567 1.902 20 0 HDADMO 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[NH3+]Cc1ncn(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)n1 ZINC001168750213 1074002825 /nfs/dbraw/zinc/00/28/25/1074002825.db2.gz KVSCXPBTYFUART-UHFFFAOYSA-N 1 1 412.519 1.764 20 0 HDADMO CCn1nc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000429186518 1074007901 /nfs/dbraw/zinc/00/79/01/1074007901.db2.gz UZQSHFKRQASXIO-UHFFFAOYSA-N 1 1 402.543 2.188 20 0 HDADMO COCCOc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000673990596 1074009995 /nfs/dbraw/zinc/00/99/95/1074009995.db2.gz JUIZQIYZRTUYLT-KRWDZBQOSA-N 1 1 411.930 1.502 20 0 HDADMO CC[C@@H]1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC(=O)N1 ZINC000543531146 1074022053 /nfs/dbraw/zinc/02/20/53/1074022053.db2.gz DZPKVQTVRVVDCG-QZTJIDSGSA-N 1 1 400.523 1.637 20 0 HDADMO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@H+]1CCC[C@H](C)C1 ZINC000543534459 1074033161 /nfs/dbraw/zinc/03/31/61/1074033161.db2.gz MWQWDWJLGMEHIA-HOTGVXAUSA-N 1 1 401.511 1.387 20 0 HDADMO CN1CC[NH+](Cc2ccc(CNC(=O)NCCc3cn4c(n3)SCC4)cc2)CC1 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COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1 ZINC000732818484 1075878282 /nfs/dbraw/zinc/87/82/82/1075878282.db2.gz DVNBYGOFGSLMHI-QUCCMNQESA-N 1 1 413.518 1.842 20 0 HDADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000732821055 1075879342 /nfs/dbraw/zinc/87/93/42/1075879342.db2.gz ABIZSFXELAIUOW-SFHVURJKSA-N 1 1 407.559 1.164 20 0 HDADMO CCOc1ncc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000732848052 1075885170 /nfs/dbraw/zinc/88/51/70/1075885170.db2.gz WFJRUNKTGKCOHW-HNNXBMFYSA-N 1 1 413.902 1.764 20 0 HDADMO COC(=O)c1ccsc1N1CC[C@H](N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000611244228 1075885413 /nfs/dbraw/zinc/88/54/13/1075885413.db2.gz LKDHHZDISZDKQR-HOTGVXAUSA-N 1 1 420.535 1.054 20 0 HDADMO CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000611281011 1075891433 /nfs/dbraw/zinc/89/14/33/1075891433.db2.gz IPKJDOVKRXKLGO-LJQANCHMSA-N 1 1 403.523 1.778 20 0 HDADMO 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COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000611321833 1075900571 /nfs/dbraw/zinc/90/05/71/1075900571.db2.gz SEJTYRZJJWXTKG-AWEZNQCLSA-N 1 1 411.524 1.492 20 0 HDADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000732871995 1075901883 /nfs/dbraw/zinc/90/18/83/1075901883.db2.gz QKAWUBZNXZIHRT-FGZHOGPDSA-N 1 1 415.582 1.298 20 0 HDADMO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cn1C ZINC000611359244 1075917270 /nfs/dbraw/zinc/91/72/70/1075917270.db2.gz KPCSICDAMAVUNX-UHFFFAOYSA-N 1 1 412.490 1.793 20 0 HDADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611382506 1075922698 /nfs/dbraw/zinc/92/26/98/1075922698.db2.gz GWPFIRJIEXJVSH-ROUUACIJSA-N 1 1 417.506 1.638 20 0 HDADMO COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)[C@H](C)C1 ZINC000611395334 1075924222 /nfs/dbraw/zinc/92/42/22/1075924222.db2.gz ZQMBHPRQKZTNCO-SJLPKXTDSA-N 1 1 404.511 1.485 20 0 HDADMO 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COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)Cc1cccc(C)c1 ZINC000611545907 1075960239 /nfs/dbraw/zinc/96/02/39/1075960239.db2.gz GXDVASBVTWRJDO-QGZVFWFLSA-N 1 1 421.457 1.662 20 0 HDADMO CCOC(=O)[C@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000611545881 1075960429 /nfs/dbraw/zinc/96/04/29/1075960429.db2.gz FDZLMCRXUXXIHH-KRWDZBQOSA-N 1 1 421.457 1.744 20 0 HDADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733039975 1075962806 /nfs/dbraw/zinc/96/28/06/1075962806.db2.gz YQVIMCXHBRNXKD-KGLIPLIRSA-N 1 1 410.531 1.670 20 0 HDADMO CC(C)(C)OC(=O)N1CCCC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000733083780 1075965982 /nfs/dbraw/zinc/96/59/82/1075965982.db2.gz VKXGTXXHDVQTCB-INIZCTEOSA-N 1 1 400.589 1.962 20 0 HDADMO Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)o1 ZINC001079262778 1075968087 /nfs/dbraw/zinc/96/80/87/1075968087.db2.gz AQRHKIIKEQUUHZ-FQBWVUSXSA-N 1 1 401.507 1.990 20 0 HDADMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000105166560 1075969542 /nfs/dbraw/zinc/96/95/42/1075969542.db2.gz FGYLGOIMQMQGCT-NRFANRHFSA-N 1 1 419.566 1.593 20 0 HDADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000491424129 1075975096 /nfs/dbraw/zinc/97/50/96/1075975096.db2.gz PHSPPDFPARYYFW-FPOVZHCZSA-N 1 1 404.555 1.233 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNc2ncnc3sccc32)CC1=O ZINC000733133090 1075981169 /nfs/dbraw/zinc/98/11/69/1075981169.db2.gz INWWDDMZPZOLME-HUUCEWRRSA-N 1 1 416.551 1.552 20 0 HDADMO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)ccc12 ZINC000733155296 1075988895 /nfs/dbraw/zinc/98/88/95/1075988895.db2.gz AKQBVIBYIPJELB-IBGZPJMESA-N 1 1 401.507 1.868 20 0 HDADMO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000733156916 1075989137 /nfs/dbraw/zinc/98/91/37/1075989137.db2.gz KCVKNSPFIBGTTL-KRWDZBQOSA-N 1 1 408.543 1.437 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O 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KXPCTLHGIXQQDQ-ZBFHGGJFSA-N 1 1 402.886 1.351 20 0 HDADMO NC(=O)c1nc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971041 722125465 /nfs/dbraw/zinc/12/54/65/722125465.db2.gz BDTSVNKZSVLXCB-HUUCEWRRSA-N 1 1 402.886 1.351 20 0 HDADMO CCOC(=O)Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981469 722131344 /nfs/dbraw/zinc/13/13/44/722131344.db2.gz ORZZWLIGRSSTIY-QUCCMNQESA-N 1 1 411.506 1.705 20 0 HDADMO c1ncn(Cc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164977029 722141379 /nfs/dbraw/zinc/14/13/79/722141379.db2.gz HUCUWBQSJIDWBK-RTWAWAEBSA-N 1 1 405.506 1.844 20 0 HDADMO O=C(NC1CC1)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164984901 722148253 /nfs/dbraw/zinc/14/82/53/722148253.db2.gz YJAKTWMCEGGFFL-FXAWDEMLSA-N 1 1 408.506 1.491 20 0 HDADMO CON(C)C(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978937 722148425 /nfs/dbraw/zinc/14/84/25/722148425.db2.gz LCDQANCKPPHASV-WOJBJXKFSA-N 1 1 411.506 1.837 20 0 HDADMO NC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1 ZINC001164971690 722158061 /nfs/dbraw/zinc/15/80/61/722158061.db2.gz DACJLNKZOZZCOM-HKUYNNGSSA-N 1 1 408.506 1.575 20 0 HDADMO CCOC(=O)/C=C\c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996992 722229706 /nfs/dbraw/zinc/22/97/06/722229706.db2.gz LOKOOPHCDWHXMP-SREVYHEPSA-N 1 1 422.533 1.805 20 0 HDADMO CSc1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997040 722231964 /nfs/dbraw/zinc/23/19/64/722231964.db2.gz MLBGKQQRYIUCDM-UHFFFAOYSA-N 1 1 406.947 1.394 20 0 HDADMO C[C@H]1CC(=O)Nc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21 ZINC001164997157 722233952 /nfs/dbraw/zinc/23/39/52/722233952.db2.gz MQYRPTPRMRWYOX-AWEZNQCLSA-N 1 1 408.510 1.069 20 0 HDADMO CCOc1c(Cl)ncnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996288 722234283 /nfs/dbraw/zinc/23/42/83/722234283.db2.gz AZGLNYQFQFCEGZ-UHFFFAOYSA-N 1 1 403.918 1.676 20 0 HDADMO COc1ccc2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ncc2c1 ZINC001164996380 722234653 /nfs/dbraw/zinc/23/46/53/722234653.db2.gz FEPPPBSHAMTLTC-UHFFFAOYSA-N 1 1 405.506 1.785 20 0 HDADMO COC(=O)C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000429046406 1073462521 /nfs/dbraw/zinc/46/25/21/1073462521.db2.gz NJCJXIBVQAOVHM-OALUTQOASA-N 1 1 405.495 1.251 20 0 HDADMO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1S(N)(=O)=O ZINC000673639273 1073468291 /nfs/dbraw/zinc/46/82/91/1073468291.db2.gz XYWMQANFSXEFHG-UHFFFAOYSA-N 1 1 402.520 1.642 20 0 HDADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCOc1ccccc1I ZINC001299281226 1073469875 /nfs/dbraw/zinc/46/98/75/1073469875.db2.gz LPNDTOUMWWESMO-ZDUSSCGKSA-N 1 1 418.275 1.585 20 0 HDADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCOc1ccccc1I ZINC001299281226 1073469879 /nfs/dbraw/zinc/46/98/79/1073469879.db2.gz LPNDTOUMWWESMO-ZDUSSCGKSA-N 1 1 418.275 1.585 20 0 HDADMO O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673643133 1073488456 /nfs/dbraw/zinc/48/84/56/1073488456.db2.gz LYZQMHLYDYUIBM-XXBNENTESA-N 1 1 408.502 1.896 20 0 HDADMO CC(=O)N[C@](C)(C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001299281580 1073493244 /nfs/dbraw/zinc/49/32/44/1073493244.db2.gz PJVTWBBNWDVTLK-PXNSSMCTSA-N 1 1 409.552 1.383 20 0 HDADMO COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000429062644 1073497396 /nfs/dbraw/zinc/49/73/96/1073497396.db2.gz UXXSEGPIDNYFSB-PKOBYXMFSA-N 1 1 409.552 1.732 20 0 HDADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)[C@H]1c1cccs1 ZINC000509100254 1073523804 /nfs/dbraw/zinc/52/38/04/1073523804.db2.gz PUIGGOQZMRCLFV-YCPHGPKFSA-N 1 1 401.554 1.244 20 0 HDADMO COC(=O)Cn1cc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)nn1 ZINC000429080990 1073525753 /nfs/dbraw/zinc/52/57/53/1073525753.db2.gz DWEGIHZQISRAAP-UHFFFAOYSA-N 1 1 401.402 1.084 20 0 HDADMO O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000625188456 1073553819 /nfs/dbraw/zinc/55/38/19/1073553819.db2.gz IHWMHFNUELKTTD-GOSISDBHSA-N 1 1 413.526 1.054 20 0 HDADMO O=C(CCNS(=O)(=O)c1ccccc1F)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000625189595 1073555450 /nfs/dbraw/zinc/55/54/50/1073555450.db2.gz NEZJKYYNWPYGCO-INIZCTEOSA-N 1 1 413.515 1.207 20 0 HDADMO O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000625192155 1073559009 /nfs/dbraw/zinc/55/90/09/1073559009.db2.gz UODIQSLXRAESOT-LJQANCHMSA-N 1 1 421.563 1.798 20 0 HDADMO CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001299283306 1073590322 /nfs/dbraw/zinc/59/03/22/1073590322.db2.gz ZLHFNMPYRPPLAT-GOSISDBHSA-N 1 1 421.590 1.439 20 0 HDADMO CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673668859 1073623183 /nfs/dbraw/zinc/62/31/83/1073623183.db2.gz BFRLDPVITNZQCO-UYAOXDASSA-N 1 1 412.534 1.132 20 0 HDADMO CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673668859 1073623187 /nfs/dbraw/zinc/62/31/87/1073623187.db2.gz BFRLDPVITNZQCO-UYAOXDASSA-N 1 1 412.534 1.132 20 0 HDADMO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000673707202 1073646869 /nfs/dbraw/zinc/64/68/69/1073646869.db2.gz OUZHJVRQLPYTQR-CYBMUJFWSA-N 1 1 421.489 1.710 20 0 HDADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](Cn2cccn2)c2ccccc2)c(=O)[nH]c1=O ZINC000673713291 1073652731 /nfs/dbraw/zinc/65/27/31/1073652731.db2.gz MVKIZUXGFXNFNC-MRXNPFEDSA-N 1 1 410.478 1.597 20 0 HDADMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713794 1073653665 /nfs/dbraw/zinc/65/36/65/1073653665.db2.gz GCPIZOIWFYKFEK-VXKWHMMOSA-N 1 1 402.583 1.666 20 0 HDADMO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713794 1073653670 /nfs/dbraw/zinc/65/36/70/1073653670.db2.gz GCPIZOIWFYKFEK-VXKWHMMOSA-N 1 1 402.583 1.666 20 0 HDADMO CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000673730101 1073663454 /nfs/dbraw/zinc/66/34/54/1073663454.db2.gz JENYEEOBLWZSBS-QFIPXVFZSA-N 1 1 420.513 1.919 20 0 HDADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000028726149 1073671858 /nfs/dbraw/zinc/67/18/58/1073671858.db2.gz CDJBWCJTHYAASA-LJQANCHMSA-N 1 1 418.538 1.073 20 0 HDADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000028726149 1073671865 /nfs/dbraw/zinc/67/18/65/1073671865.db2.gz CDJBWCJTHYAASA-LJQANCHMSA-N 1 1 418.538 1.073 20 0 HDADMO O=C(Cn1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1)NC1CCCCC1 ZINC000673740705 1073675703 /nfs/dbraw/zinc/67/57/03/1073675703.db2.gz IGZXZBXNPWJYPO-RBUKOAKNSA-N 1 1 403.527 1.003 20 0 HDADMO CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)C1=O ZINC000946691082 1073688346 /nfs/dbraw/zinc/68/83/46/1073688346.db2.gz XKRDMSCMJLINCW-JMCQKSGCSA-N 1 1 401.551 1.590 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000673757442 1073692271 /nfs/dbraw/zinc/69/22/71/1073692271.db2.gz QFELFDYOUALJCL-HXUWFJFHSA-N 1 1 402.583 1.810 20 0 HDADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429120553 1073693666 /nfs/dbraw/zinc/69/36/66/1073693666.db2.gz HFFCXQJHCVCSFS-AWEZNQCLSA-N 1 1 406.483 1.498 20 0 HDADMO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673758487 1073698478 /nfs/dbraw/zinc/69/84/78/1073698478.db2.gz RJVWUQYIQHUFGK-WSTZPKSXSA-N 1 1 407.580 1.617 20 0 HDADMO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000673758487 1073698484 /nfs/dbraw/zinc/69/84/84/1073698484.db2.gz RJVWUQYIQHUFGK-WSTZPKSXSA-N 1 1 407.580 1.617 20 0 HDADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000509135746 1073700098 /nfs/dbraw/zinc/70/00/98/1073700098.db2.gz GVWHAVDIZFTXTL-LJQANCHMSA-N 1 1 409.552 1.354 20 0 HDADMO C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000509144493 1073719843 /nfs/dbraw/zinc/71/98/43/1073719843.db2.gz YSQQIECZMRLMHH-DKSSEZFCSA-N 1 1 408.930 1.879 20 0 HDADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C[C@@H](C)O1 ZINC000509144686 1073729438 /nfs/dbraw/zinc/72/94/38/1073729438.db2.gz RNHAGIFZAIAAFW-QCFAMHMHSA-N 1 1 417.550 1.717 20 0 HDADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2C1 ZINC000673785731 1073730499 /nfs/dbraw/zinc/73/04/99/1073730499.db2.gz YBLWTRQBAKJBAG-SFHVURJKSA-N 1 1 400.523 1.674 20 0 HDADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2C1 ZINC000673785731 1073730506 /nfs/dbraw/zinc/73/05/06/1073730506.db2.gz YBLWTRQBAKJBAG-SFHVURJKSA-N 1 1 400.523 1.674 20 0 HDADMO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc21 ZINC000673785991 1073731753 /nfs/dbraw/zinc/73/17/53/1073731753.db2.gz JQKQRBWWFOOOTB-KRWDZBQOSA-N 1 1 413.522 1.812 20 0 HDADMO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc21 ZINC000673785992 1073732439 /nfs/dbraw/zinc/73/24/39/1073732439.db2.gz JQKQRBWWFOOOTB-QGZVFWFLSA-N 1 1 413.522 1.812 20 0 HDADMO COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000028987686 1073738801 /nfs/dbraw/zinc/73/88/01/1073738801.db2.gz MKHIKLIPXOKRPS-UHFFFAOYSA-N 1 1 415.412 1.827 20 0 HDADMO CC(C)c1nc(S(=O)(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c[nH]1 ZINC000673821967 1073767063 /nfs/dbraw/zinc/76/70/63/1073767063.db2.gz XXZAMUQGNGGSMC-QGZVFWFLSA-N 1 1 419.551 1.709 20 0 HDADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673831080 1073788977 /nfs/dbraw/zinc/78/89/77/1073788977.db2.gz GLPBZAIPNRVJGB-OAQYLSRUSA-N 1 1 408.550 1.899 20 0 HDADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000673831170 1073789557 /nfs/dbraw/zinc/78/95/57/1073789557.db2.gz QHVKARUNYXKSBT-SFHVURJKSA-N 1 1 412.531 1.131 20 0 HDADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000673831170 1073789562 /nfs/dbraw/zinc/78/95/62/1073789562.db2.gz QHVKARUNYXKSBT-SFHVURJKSA-N 1 1 412.531 1.131 20 0 HDADMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000057137898 1073793772 /nfs/dbraw/zinc/79/37/72/1073793772.db2.gz LKQIYWIJIPOAJU-WOJBJXKFSA-N 1 1 405.564 1.230 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000057260781 1073804279 /nfs/dbraw/zinc/80/42/79/1073804279.db2.gz XHTVPAPMYPBPNF-IBGZPJMESA-N 1 1 405.458 1.485 20 0 HDADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000057260781 1073804291 /nfs/dbraw/zinc/80/42/91/1073804291.db2.gz XHTVPAPMYPBPNF-IBGZPJMESA-N 1 1 405.458 1.485 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000466545657 1073838545 /nfs/dbraw/zinc/83/85/45/1073838545.db2.gz PHDCOHWKLUUEMO-KXBFYZLASA-N 1 1 404.511 1.972 20 0 HDADMO COC(=O)[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000029634949 1073845861 /nfs/dbraw/zinc/84/58/61/1073845861.db2.gz FEOMCTPAWAGSJI-NRFANRHFSA-N 1 1 409.486 1.771 20 0 HDADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673879259 1073851221 /nfs/dbraw/zinc/85/12/21/1073851221.db2.gz XMKJRIORLBZAOL-FQEVSTJZSA-N 1 1 407.603 1.489 20 0 HDADMO O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000673879189 1073851436 /nfs/dbraw/zinc/85/14/36/1073851436.db2.gz WQSOQRSHVMLFKS-AZUAARDMSA-N 1 1 421.505 1.345 20 0 HDADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883554 1073854599 /nfs/dbraw/zinc/85/45/99/1073854599.db2.gz KWQHPRXGQXQGKE-NRFANRHFSA-N 1 1 414.550 1.992 20 0 HDADMO O=C(Nc1cccnc1OCc1ccccc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000673890353 1073863384 /nfs/dbraw/zinc/86/33/84/1073863384.db2.gz BZIQPVLWFHKDFX-UHFFFAOYSA-N 1 1 424.501 1.922 20 0 HDADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000673913722 1073879927 /nfs/dbraw/zinc/87/99/27/1073879927.db2.gz RZJZBUBZLKPAJD-BEFAXECRSA-N 1 1 402.495 1.593 20 0 HDADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@H](C)O1 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O=C(NCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cnccn1 ZINC000509209362 1074132104 /nfs/dbraw/zinc/13/21/04/1074132104.db2.gz GROCYKHCHMRFLU-MRXNPFEDSA-N 1 1 403.433 1.480 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000429214533 1074138637 /nfs/dbraw/zinc/13/86/37/1074138637.db2.gz MJBCGUXYZOUWJJ-QGZVFWFLSA-N 1 1 424.567 1.700 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000429214533 1074138642 /nfs/dbraw/zinc/13/86/42/1074138642.db2.gz MJBCGUXYZOUWJJ-QGZVFWFLSA-N 1 1 424.567 1.700 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000466623524 1074138976 /nfs/dbraw/zinc/13/89/76/1074138976.db2.gz RXFCRLOJRMVBBN-YRNRMSPPSA-N 1 1 403.523 1.696 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000466623524 1074138981 /nfs/dbraw/zinc/13/89/81/1074138981.db2.gz RXFCRLOJRMVBBN-YRNRMSPPSA-N 1 1 403.523 1.696 20 0 HDADMO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229625216 1074147078 /nfs/dbraw/zinc/14/70/78/1074147078.db2.gz PSYGYUQEUDETAK-MOPGFXCFSA-N 1 1 417.554 1.214 20 0 HDADMO CC[N@@H+](CCO)CCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000470593303 1074159309 /nfs/dbraw/zinc/15/93/09/1074159309.db2.gz XMGQIMSJEUOHNI-UHFFFAOYSA-N 1 1 411.930 1.631 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2c(F)cccc2F)n1 ZINC000674093542 1074181375 /nfs/dbraw/zinc/18/13/75/1074181375.db2.gz CUWZVBQSOBLTBC-OAHLLOKOSA-N 1 1 405.449 1.287 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Br ZINC000674094649 1074181655 /nfs/dbraw/zinc/18/16/55/1074181655.db2.gz QPWAZJRGKOLSLN-ZDUSSCGKSA-N 1 1 400.292 1.725 20 0 HDADMO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[N@H+]1CCc2ccccc2C1 ZINC000670466291 1074184992 /nfs/dbraw/zinc/18/49/92/1074184992.db2.gz JQDOMFHOIWKCPK-HNNXBMFYSA-N 1 1 402.520 1.110 20 0 HDADMO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c(C)c1 ZINC000485004336 1074189453 /nfs/dbraw/zinc/18/94/53/1074189453.db2.gz VJMPHTWOOGNLJL-UHFFFAOYSA-N 1 1 416.566 1.807 20 0 HDADMO Cc1cc(N2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3C)CC2)nc(C)[nH+]1 ZINC000674135000 1074192595 /nfs/dbraw/zinc/19/25/95/1074192595.db2.gz RXKSUQDOKBSCLI-UHFFFAOYSA-N 1 1 403.508 1.448 20 0 HDADMO Cc1cc(N2CCC(NC(=O)c3ccc(S(N)(=O)=O)c(C)c3)CC2)nc(C)[nH+]1 ZINC000674135127 1074193211 /nfs/dbraw/zinc/19/32/11/1074193211.db2.gz XYTXPYDVWXVIOL-UHFFFAOYSA-N 1 1 403.508 1.448 20 0 HDADMO Cc1cc(N2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC000674134842 1074193225 /nfs/dbraw/zinc/19/32/25/1074193225.db2.gz NKLPBNWJWWFBSN-QGZVFWFLSA-N 1 1 408.506 1.622 20 0 HDADMO Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)nc(C)n1 ZINC000674159966 1074195614 /nfs/dbraw/zinc/19/56/14/1074195614.db2.gz UFFSIBJGFPTCSF-IBGZPJMESA-N 1 1 415.586 1.530 20 0 HDADMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2 ZINC000674162259 1074198110 /nfs/dbraw/zinc/19/81/10/1074198110.db2.gz 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COCCCn1ccc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000429416962 1075485272 /nfs/dbraw/zinc/48/52/72/1075485272.db2.gz FMTUOCFWQJXRCS-OAQYLSRUSA-N 1 1 401.511 2.020 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OCC1CCOCC1 ZINC000676280735 1075486079 /nfs/dbraw/zinc/48/60/79/1075486079.db2.gz WEIVYUDBRWCCMI-JXFKEZNVSA-N 1 1 419.522 1.574 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OCC1CCOCC1 ZINC000676280735 1075486082 /nfs/dbraw/zinc/48/60/82/1075486082.db2.gz WEIVYUDBRWCCMI-JXFKEZNVSA-N 1 1 419.522 1.574 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000676281716 1075488305 /nfs/dbraw/zinc/48/83/05/1075488305.db2.gz OIVFVGDWKCEKHQ-VQIMIIECSA-N 1 1 412.490 1.477 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281716 1075488310 /nfs/dbraw/zinc/48/83/10/1075488310.db2.gz OIVFVGDWKCEKHQ-VQIMIIECSA-N 1 1 412.490 1.477 20 0 HDADMO CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000676281606 1075488737 /nfs/dbraw/zinc/48/87/37/1075488737.db2.gz ZDRRTOHBSLSSKN-ABAIWWIYSA-N 1 1 403.401 1.878 20 0 HDADMO CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000676281606 1075488740 /nfs/dbraw/zinc/48/87/40/1075488740.db2.gz ZDRRTOHBSLSSKN-ABAIWWIYSA-N 1 1 403.401 1.878 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676281375 1075489150 /nfs/dbraw/zinc/48/91/50/1075489150.db2.gz VZRYMWMNIMOVQT-SUMWQHHRSA-N 1 1 405.886 1.359 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281375 1075489157 /nfs/dbraw/zinc/48/91/57/1075489157.db2.gz VZRYMWMNIMOVQT-SUMWQHHRSA-N 1 1 405.886 1.359 20 0 HDADMO CC[C@H](C)n1nc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000438782582 1075489221 /nfs/dbraw/zinc/48/92/21/1075489221.db2.gz NVPJKZWXMYPMPL-DZOHQFGASA-N 1 1 405.543 2.201 20 0 HDADMO 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C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000730906239 1076681100 /nfs/dbraw/zinc/68/11/00/1076681100.db2.gz REPCTSRDNTWFDS-HNNXBMFYSA-N 1 1 402.417 1.202 20 0 HDADMO CC(C)[C@H](CNC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000730904817 1076688538 /nfs/dbraw/zinc/68/85/38/1076688538.db2.gz FBEKCVLRLGVXNQ-MSOLQXFVSA-N 1 1 411.591 1.957 20 0 HDADMO CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000730919266 1076692812 /nfs/dbraw/zinc/69/28/12/1076692812.db2.gz IGQRLPXHZRKWEY-OAHLLOKOSA-N 1 1 408.930 1.915 20 0 HDADMO CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000730919264 1076692863 /nfs/dbraw/zinc/69/28/63/1076692863.db2.gz IGQRLPXHZRKWEY-HNNXBMFYSA-N 1 1 408.930 1.915 20 0 HDADMO CCOC(=O)N[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C ZINC000731008884 1076710102 /nfs/dbraw/zinc/71/01/02/1076710102.db2.gz VTBWQTDHPCSAHI-OALUTQOASA-N 1 1 418.538 1.771 20 0 HDADMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 ZINC000731024856 1076712872 /nfs/dbraw/zinc/71/28/72/1076712872.db2.gz IOHWFKFAMYGEIA-CQSZACIVSA-N 1 1 415.943 1.433 20 0 HDADMO Cc1nccn1-c1ncccc1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731120131 1076725977 /nfs/dbraw/zinc/72/59/77/1076725977.db2.gz OJRDSJXWNSPKCI-FQEVSTJZSA-N 1 1 411.554 1.887 20 0 HDADMO C[N@H+]1CCCN(c2ccc(NC(=O)COCC(=O)NCc3cccnc3)cc2)CC1 ZINC000731183485 1076746568 /nfs/dbraw/zinc/74/65/68/1076746568.db2.gz XNRCFDJRURTWEA-UHFFFAOYSA-N 1 1 411.506 1.495 20 0 HDADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)nc4cc(F)ccc43)CC2)C1=O ZINC001164635612 719270741 /nfs/dbraw/zinc/27/07/41/719270741.db2.gz SLRVVYIYVILQHW-UHFFFAOYSA-N 1 1 401.486 1.837 20 0 HDADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)nc4cc(F)ccc43)CC2)C1=O ZINC001164635612 719270747 /nfs/dbraw/zinc/27/07/47/719270747.db2.gz SLRVVYIYVILQHW-UHFFFAOYSA-N 1 1 401.486 1.837 20 0 HDADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164650070 719315089 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CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530692 1075376883 /nfs/dbraw/zinc/37/68/83/1075376883.db2.gz IFKYRACDRHFWTJ-RDJZCZTQSA-N 1 1 418.494 1.711 20 0 HDADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804091620 1075388741 /nfs/dbraw/zinc/38/87/41/1075388741.db2.gz GXLPNNHTHDLZAL-IRXDYDNUSA-N 1 1 410.559 1.739 20 0 HDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc(C)n(-c4ccccc4)n3)CC2)CC1 ZINC000731581337 1075394513 /nfs/dbraw/zinc/39/45/13/1075394513.db2.gz WQZQHNOLVDEOQD-UHFFFAOYSA-N 1 1 424.549 1.982 20 0 HDADMO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147483 1075398612 /nfs/dbraw/zinc/39/86/12/1075398612.db2.gz HLZYGIDFROQEPA-KSFYIVLOSA-N 1 1 419.570 1.162 20 0 HDADMO C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147483 1075398617 /nfs/dbraw/zinc/39/86/17/1075398617.db2.gz HLZYGIDFROQEPA-KSFYIVLOSA-N 1 1 419.570 1.162 20 0 HDADMO Cc1cc(F)cc2c(O)c(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cnc12 ZINC000676150985 1075400358 /nfs/dbraw/zinc/40/03/58/1075400358.db2.gz FKQXLZCPAKUBSX-INIZCTEOSA-N 1 1 402.470 1.112 20 0 HDADMO COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)n2)cc1 ZINC000426940370 1075401442 /nfs/dbraw/zinc/40/14/42/1075401442.db2.gz NQWCWBKJZLVXNN-SFHVURJKSA-N 1 1 413.522 1.973 20 0 HDADMO COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000731615278 1075413037 /nfs/dbraw/zinc/41/30/37/1075413037.db2.gz MRQBDEOWWADNAO-GOSISDBHSA-N 1 1 411.458 1.975 20 0 HDADMO COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000731615278 1075413046 /nfs/dbraw/zinc/41/30/46/1075413046.db2.gz MRQBDEOWWADNAO-GOSISDBHSA-N 1 1 411.458 1.975 20 0 HDADMO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000569553041 1075423211 /nfs/dbraw/zinc/42/32/11/1075423211.db2.gz SPLAPAPTBLIURD-HUUCEWRRSA-N 1 1 400.458 1.739 20 0 HDADMO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000569553041 1075423217 /nfs/dbraw/zinc/42/32/17/1075423217.db2.gz SPLAPAPTBLIURD-HUUCEWRRSA-N 1 1 400.458 1.739 20 0 HDADMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000429403377 1075424594 /nfs/dbraw/zinc/42/45/94/1075424594.db2.gz ILVGYHVVWFIKBH-RISCZKNCSA-N 1 1 410.305 1.694 20 0 HDADMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000429403377 1075424601 /nfs/dbraw/zinc/42/46/01/1075424601.db2.gz ILVGYHVVWFIKBH-RISCZKNCSA-N 1 1 410.305 1.694 20 0 HDADMO CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434910993 1075425877 /nfs/dbraw/zinc/42/58/77/1075425877.db2.gz GDCJVZDZQXKACY-OCCSQVGLSA-N 1 1 402.499 2.226 20 0 HDADMO CCOc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2=O)cc1 ZINC000731655286 1075438734 /nfs/dbraw/zinc/43/87/34/1075438734.db2.gz IRPBLWZNUBZDHJ-MRXNPFEDSA-N 1 1 416.522 1.107 20 0 HDADMO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1NC(=O)c1ccncc1 ZINC000731655696 1075440423 /nfs/dbraw/zinc/44/04/23/1075440423.db2.gz ZLNLNVGFDMSIFG-UHFFFAOYSA-N 1 1 423.517 1.925 20 0 HDADMO C[NH+]1CCN(C(=O)CC2CCN(Cn3c(-c4ccccn4)csc3=O)CC2)CC1 ZINC000731660867 1075441159 /nfs/dbraw/zinc/44/11/59/1075441159.db2.gz LWTWICKDAUYXAB-UHFFFAOYSA-N 1 1 415.563 1.805 20 0 HDADMO CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000542898770 1075443213 /nfs/dbraw/zinc/44/32/13/1075443213.db2.gz WVDZXHIWXVOJKE-BEFAXECRSA-N 1 1 413.522 1.984 20 0 HDADMO CCNS(=O)(=O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000731642896 1075444551 /nfs/dbraw/zinc/44/45/51/1075444551.db2.gz KXXVDBPJWOYTLV-INIZCTEOSA-N 1 1 407.458 1.497 20 0 HDADMO C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676244180 1075445823 /nfs/dbraw/zinc/44/58/23/1075445823.db2.gz RBBGLXQKHKXJJR-IPELMVKDSA-N 1 1 410.946 1.732 20 0 HDADMO C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244180 1075445825 /nfs/dbraw/zinc/44/58/25/1075445825.db2.gz RBBGLXQKHKXJJR-IPELMVKDSA-N 1 1 410.946 1.732 20 0 HDADMO C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676244570 1075446991 /nfs/dbraw/zinc/44/69/91/1075446991.db2.gz VUSMDUJZIIUXBJ-VQIMIIECSA-N 1 1 424.567 1.380 20 0 HDADMO C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676244570 1075446995 /nfs/dbraw/zinc/44/69/95/1075446995.db2.gz VUSMDUJZIIUXBJ-VQIMIIECSA-N 1 1 424.567 1.380 20 0 HDADMO C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[N@H+](C)CCO1 ZINC000676244513 1075447018 /nfs/dbraw/zinc/44/70/18/1075447018.db2.gz VHNPIOKSBNWGPY-XHDPSFHLSA-N 1 1 414.300 1.739 20 0 HDADMO C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000676244513 1075447021 /nfs/dbraw/zinc/44/70/21/1075447021.db2.gz VHNPIOKSBNWGPY-XHDPSFHLSA-N 1 1 414.300 1.739 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246621 1075447403 /nfs/dbraw/zinc/44/74/03/1075447403.db2.gz XPERNTWPGTZSHF-BJJXKVORSA-N 1 1 414.428 1.829 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246621 1075447406 /nfs/dbraw/zinc/44/74/06/1075447406.db2.gz XPERNTWPGTZSHF-BJJXKVORSA-N 1 1 414.428 1.829 20 0 HDADMO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676258146 1075452122 /nfs/dbraw/zinc/45/21/22/1075452122.db2.gz CUTXYADIWULLIV-YJBOKZPZSA-N 1 1 411.568 1.488 20 0 HDADMO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258146 1075452124 /nfs/dbraw/zinc/45/21/24/1075452124.db2.gz CUTXYADIWULLIV-YJBOKZPZSA-N 1 1 411.568 1.488 20 0 HDADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(N(C)C)cc2)C3)O1 ZINC001006077477 1075453692 /nfs/dbraw/zinc/45/36/92/1075453692.db2.gz UMCLGGGAGJOTJD-MRBRGOBGSA-N 1 1 400.523 1.333 20 0 HDADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(N(C)C)cc2)C3)O1 ZINC001006077477 1075453695 /nfs/dbraw/zinc/45/36/95/1075453695.db2.gz UMCLGGGAGJOTJD-MRBRGOBGSA-N 1 1 400.523 1.333 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676261127 1075458310 /nfs/dbraw/zinc/45/83/10/1075458310.db2.gz PZPXHKOJQMNSTR-QAPCUYQASA-N 1 1 406.552 1.645 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676261127 1075458314 /nfs/dbraw/zinc/45/83/14/1075458314.db2.gz PZPXHKOJQMNSTR-QAPCUYQASA-N 1 1 406.552 1.645 20 0 HDADMO C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000676262064 1075459912 /nfs/dbraw/zinc/45/99/12/1075459912.db2.gz VNQXMNJECSOXJS-XHDPSFHLSA-N 1 1 416.291 1.543 20 0 HDADMO C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000676262064 1075459921 /nfs/dbraw/zinc/45/99/21/1075459921.db2.gz VNQXMNJECSOXJS-XHDPSFHLSA-N 1 1 416.291 1.543 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)cc2)CC1 ZINC000676261587 1075460745 /nfs/dbraw/zinc/46/07/45/1075460745.db2.gz WYHHQXFOCDWRSM-QFBILLFUSA-N 1 1 403.527 1.305 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676262894 1075461095 /nfs/dbraw/zinc/46/10/95/1075461095.db2.gz OPPPGWHIKVJYMN-LRDDRELGSA-N 1 1 400.476 1.206 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262894 1075461103 /nfs/dbraw/zinc/46/11/03/1075461103.db2.gz OPPPGWHIKVJYMN-LRDDRELGSA-N 1 1 400.476 1.206 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676262898 1075461199 /nfs/dbraw/zinc/46/11/99/1075461199.db2.gz OPPPGWHIKVJYMN-WBMJQRKESA-N 1 1 400.476 1.206 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262898 1075461203 /nfs/dbraw/zinc/46/12/03/1075461203.db2.gz OPPPGWHIKVJYMN-WBMJQRKESA-N 1 1 400.476 1.206 20 0 HDADMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000676262471 1075461681 /nfs/dbraw/zinc/46/16/81/1075461681.db2.gz ZLSKHVFBZQDZGZ-ZIAGYGMSSA-N 1 1 404.536 1.942 20 0 HDADMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000676262471 1075461687 /nfs/dbraw/zinc/46/16/87/1075461687.db2.gz ZLSKHVFBZQDZGZ-ZIAGYGMSSA-N 1 1 404.536 1.942 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676263287 1075462936 /nfs/dbraw/zinc/46/29/36/1075462936.db2.gz WVLJOHMIZZXPCU-BMGDILEWSA-N 1 1 405.499 1.828 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676263287 1075462941 /nfs/dbraw/zinc/46/29/41/1075462941.db2.gz WVLJOHMIZZXPCU-BMGDILEWSA-N 1 1 405.499 1.828 20 0 HDADMO C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676248319 1075466053 /nfs/dbraw/zinc/46/60/53/1075466053.db2.gz CASFSCKSASTWRD-SWLSCSKDSA-N 1 1 400.321 1.711 20 0 HDADMO C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676248319 1075466056 /nfs/dbraw/zinc/46/60/56/1075466056.db2.gz CASFSCKSASTWRD-SWLSCSKDSA-N 1 1 400.321 1.711 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676248415 1075466101 /nfs/dbraw/zinc/46/61/01/1075466101.db2.gz SSGUIIPLIWTUGV-HKUYNNGSSA-N 1 1 403.527 1.285 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676248415 1075466104 /nfs/dbraw/zinc/46/61/04/1075466104.db2.gz SSGUIIPLIWTUGV-HKUYNNGSSA-N 1 1 403.527 1.285 20 0 HDADMO Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676249824 1075466824 /nfs/dbraw/zinc/46/68/24/1075466824.db2.gz CMMSVTJQWOGWJF-FXAWDEMLSA-N 1 1 402.539 1.752 20 0 HDADMO Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676249824 1075466828 /nfs/dbraw/zinc/46/68/28/1075466828.db2.gz CMMSVTJQWOGWJF-FXAWDEMLSA-N 1 1 402.539 1.752 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250680 1075467925 /nfs/dbraw/zinc/46/79/25/1075467925.db2.gz IILLPWGNUVVBAW-GJYPPUQNSA-N 1 1 422.957 1.844 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250680 1075467927 /nfs/dbraw/zinc/46/79/27/1075467927.db2.gz IILLPWGNUVVBAW-GJYPPUQNSA-N 1 1 422.957 1.844 20 0 HDADMO C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250361 1075468471 /nfs/dbraw/zinc/46/84/71/1075468471.db2.gz HALDBROEANEXEL-WFASDCNBSA-N 1 1 413.316 1.197 20 0 HDADMO C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250361 1075468472 /nfs/dbraw/zinc/46/84/72/1075468472.db2.gz HALDBROEANEXEL-WFASDCNBSA-N 1 1 413.316 1.197 20 0 HDADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C ZINC000446772002 1075468768 /nfs/dbraw/zinc/46/87/68/1075468768.db2.gz AZMXXKCHYUVKFB-OAHLLOKOSA-N 1 1 402.474 2.034 20 0 HDADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731685306 1075469176 /nfs/dbraw/zinc/46/91/76/1075469176.db2.gz XFLPCZKDBUZSHM-SFHVURJKSA-N 1 1 402.605 1.449 20 0 HDADMO C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676252255 1075469997 /nfs/dbraw/zinc/46/99/97/1075469997.db2.gz QTEVEYORHRWLKX-QUCCMNQESA-N 1 1 402.539 1.582 20 0 HDADMO C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676252255 1075470004 /nfs/dbraw/zinc/47/00/04/1075470004.db2.gz QTEVEYORHRWLKX-QUCCMNQESA-N 1 1 402.539 1.582 20 0 HDADMO C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676252266 1075470194 /nfs/dbraw/zinc/47/01/94/1075470194.db2.gz QWXXXAXBYNYGHX-QAPCUYQASA-N 1 1 413.540 1.220 20 0 HDADMO C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676252266 1075470197 /nfs/dbraw/zinc/47/01/97/1075470197.db2.gz QWXXXAXBYNYGHX-QAPCUYQASA-N 1 1 413.540 1.220 20 0 HDADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)C1 ZINC000676252463 1075470639 /nfs/dbraw/zinc/47/06/39/1075470639.db2.gz KQDIWBFSTUTBOD-AWEZNQCLSA-N 1 1 403.458 1.682 20 0 HDADMO O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000676252435 1075470648 /nfs/dbraw/zinc/47/06/48/1075470648.db2.gz IEQWPQFTJYRAHI-UHFFFAOYSA-N 1 1 415.469 1.969 20 0 HDADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)C1 ZINC000676252465 1075470735 /nfs/dbraw/zinc/47/07/35/1075470735.db2.gz KQDIWBFSTUTBOD-CQSZACIVSA-N 1 1 403.458 1.682 20 0 HDADMO COc1ccc(CCC(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676252443 1075470797 /nfs/dbraw/zinc/47/07/97/1075470797.db2.gz VSPHQNNEEOUVPH-YLJYHZDGSA-N 1 1 418.538 1.201 20 0 HDADMO COc1ccc(CCC(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676252443 1075470801 /nfs/dbraw/zinc/47/08/01/1075470801.db2.gz VSPHQNNEEOUVPH-YLJYHZDGSA-N 1 1 418.538 1.201 20 0 HDADMO CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)N(C)C ZINC000676253317 1075471630 /nfs/dbraw/zinc/47/16/30/1075471630.db2.gz VVGTYHVDGULDNL-AYBZRNKSSA-N 1 1 406.527 1.623 20 0 HDADMO 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C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1 ZINC001164888666 721436928 /nfs/dbraw/zinc/43/69/28/721436928.db2.gz ABCKCQOUCGIYBH-AVRDEDQJSA-N 1 1 411.554 1.927 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1 ZINC001164899439 721441062 /nfs/dbraw/zinc/44/10/62/721441062.db2.gz YLPDWOQNPAVPBX-PGRDOPGGSA-N 1 1 414.554 1.134 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1 ZINC001164899441 721441544 /nfs/dbraw/zinc/44/15/44/721441544.db2.gz YLPDWOQNPAVPBX-XMSQKQJNSA-N 1 1 414.554 1.134 20 0 HDADMO CON(C)C(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164897188 721442021 /nfs/dbraw/zinc/44/20/21/721442021.db2.gz SQELMDQODCJEJB-UGKGYDQZSA-N 1 1 417.554 1.480 20 0 HDADMO CON(C)C(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164897146 721442153 /nfs/dbraw/zinc/44/21/53/721442153.db2.gz SQELMDQODCJEJB-KNQAVFIVSA-N 1 1 417.554 1.480 20 0 HDADMO 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CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000477092939 1074791341 /nfs/dbraw/zinc/79/13/41/1074791341.db2.gz DDBTZSLMZBTSFX-DLBZAZTESA-N 1 1 421.561 1.601 20 0 HDADMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1nc2cc(Cl)ccn2n1 ZINC000558502347 1074791363 /nfs/dbraw/zinc/79/13/63/1074791363.db2.gz SIKNEDIOJMVGGF-JKSUJKDBSA-N 1 1 400.870 2.140 20 0 HDADMO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000507219125 1074797599 /nfs/dbraw/zinc/79/75/99/1074797599.db2.gz WZBFZYIKWSPJBC-LJQANCHMSA-N 1 1 418.501 1.887 20 0 HDADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000507219125 1074797611 /nfs/dbraw/zinc/79/76/11/1074797611.db2.gz WZBFZYIKWSPJBC-LJQANCHMSA-N 1 1 418.501 1.887 20 0 HDADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446714349 1074797694 /nfs/dbraw/zinc/79/76/94/1074797694.db2.gz HUBLQEKLHBHFTI-MRXNPFEDSA-N 1 1 423.439 2.065 20 0 HDADMO C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675317517 1074797786 /nfs/dbraw/zinc/79/77/86/1074797786.db2.gz LWHRJBFJZFFQPX-NSISKUIASA-N 1 1 402.539 1.998 20 0 HDADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000477107552 1074806221 /nfs/dbraw/zinc/80/62/21/1074806221.db2.gz NJTRLIWFHYPLHD-GOSISDBHSA-N 1 1 410.603 1.763 20 0 HDADMO CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000670501963 1074816482 /nfs/dbraw/zinc/81/64/82/1074816482.db2.gz CCJLRNPMXBTOJH-ROUUACIJSA-N 1 1 403.523 1.886 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]21 ZINC000766112366 1074819189 /nfs/dbraw/zinc/81/91/89/1074819189.db2.gz JLFGTTFIFLJTES-NHCUHLMSSA-N 1 1 414.550 1.884 20 0 HDADMO COc1ccccc1OCCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000670507389 1075094460 /nfs/dbraw/zinc/09/44/60/1075094460.db2.gz DBKAZXYNBQKGKI-IBGZPJMESA-N 1 1 411.502 1.923 20 0 HDADMO Cc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1 ZINC000426785060 1075094570 /nfs/dbraw/zinc/09/45/70/1075094570.db2.gz OLAURDLIYQHUMN-OAHLLOKOSA-N 1 1 406.508 2.545 20 0 HDADMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000546104203 1075101779 /nfs/dbraw/zinc/10/17/79/1075101779.db2.gz NLFUISDFSNFXIU-INIZCTEOSA-N 1 1 404.471 2.196 20 0 HDADMO COC(=O)c1cncnc1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000553036848 1075111484 /nfs/dbraw/zinc/11/14/84/1075111484.db2.gz MKAJKLKQSWGXPT-UHFFFAOYSA-N 1 1 400.479 2.365 20 0 HDADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000484217722 1075124384 /nfs/dbraw/zinc/12/43/84/1075124384.db2.gz FMRSGKALSOGQMK-HNNXBMFYSA-N 1 1 404.902 1.766 20 0 HDADMO Cc1c(C(=O)NCc2nn(C)cc2I)cnn1-c1cc[nH+]cc1 ZINC001128992815 1075128479 /nfs/dbraw/zinc/12/84/79/1075128479.db2.gz JIIMSPIVZWAILL-UHFFFAOYSA-N 1 1 422.230 1.844 20 0 HDADMO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000675405291 1075129282 /nfs/dbraw/zinc/12/92/82/1075129282.db2.gz YYCMOZZWKGWBCX-IEBWSBKVSA-N 1 1 413.522 1.784 20 0 HDADMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000675405033 1075129588 /nfs/dbraw/zinc/12/95/88/1075129588.db2.gz XIFFYFJJAKESGI-KRWDZBQOSA-N 1 1 413.522 1.736 20 0 HDADMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000675405670 1075131396 /nfs/dbraw/zinc/13/13/96/1075131396.db2.gz SDROATNPADLXRY-KRWDZBQOSA-N 1 1 411.506 1.754 20 0 HDADMO O=C(NCc1nnc(-c2ccccc2)s1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675424415 1075140453 /nfs/dbraw/zinc/14/04/53/1075140453.db2.gz XZOWPZSMWWUBLK-KRWDZBQOSA-N 1 1 416.551 1.411 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433368 1075142727 /nfs/dbraw/zinc/14/27/27/1075142727.db2.gz NKFUQLXMVDYVJI-GUYCJALGSA-N 1 1 422.888 1.301 20 0 HDADMO CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000143814611 1075147168 /nfs/dbraw/zinc/14/71/68/1075147168.db2.gz HQFYGKCNAPVCHE-SFHVURJKSA-N 1 1 402.495 1.943 20 0 HDADMO CCOC(=O)C1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000143814611 1075147172 /nfs/dbraw/zinc/14/71/72/1075147172.db2.gz HQFYGKCNAPVCHE-SFHVURJKSA-N 1 1 402.495 1.943 20 0 HDADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000670525657 1075147901 /nfs/dbraw/zinc/14/79/01/1075147901.db2.gz ZONFLGRVJOJIFM-IBGZPJMESA-N 1 1 424.501 1.798 20 0 HDADMO O=C(NCCCOc1ccc(F)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670526789 1075148589 /nfs/dbraw/zinc/14/85/89/1075148589.db2.gz LGLSLXGNPQWDOJ-UHFFFAOYSA-N 1 1 421.513 1.862 20 0 HDADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000670527116 1075151003 /nfs/dbraw/zinc/15/10/03/1075151003.db2.gz ZDNZGPAJEFPBKU-RTBURBONSA-N 1 1 406.571 1.080 20 0 HDADMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)C1 ZINC000429253612 1075151204 /nfs/dbraw/zinc/15/12/04/1075151204.db2.gz BRYUHAIPJUMQAT-SJORKVTESA-N 1 1 424.567 1.638 20 0 HDADMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)C1 ZINC000429253612 1075151206 /nfs/dbraw/zinc/15/12/06/1075151206.db2.gz BRYUHAIPJUMQAT-SJORKVTESA-N 1 1 424.567 1.638 20 0 HDADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000670527113 1075151216 /nfs/dbraw/zinc/15/12/16/1075151216.db2.gz ZDNZGPAJEFPBKU-MOPGFXCFSA-N 1 1 406.571 1.080 20 0 HDADMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[N@@H+]1CCOC ZINC000535749236 1075154072 /nfs/dbraw/zinc/15/40/72/1075154072.db2.gz WNFOAKLXCTUKMH-LJQANCHMSA-N 1 1 413.522 1.829 20 0 HDADMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[N@H+]1CCOC ZINC000535749236 1075154081 /nfs/dbraw/zinc/15/40/81/1075154081.db2.gz WNFOAKLXCTUKMH-LJQANCHMSA-N 1 1 413.522 1.829 20 0 HDADMO CC1(C)c2cc(S(=O)(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)ccc2NC1=O ZINC000675455987 1075154956 /nfs/dbraw/zinc/15/49/56/1075154956.db2.gz NDZHDKFQZFRYKI-OAHLLOKOSA-N 1 1 407.536 1.792 20 0 HDADMO CC1(C)c2cc(S(=O)(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccc2NC1=O ZINC000675455987 1075154961 /nfs/dbraw/zinc/15/49/61/1075154961.db2.gz NDZHDKFQZFRYKI-OAHLLOKOSA-N 1 1 407.536 1.792 20 0 HDADMO COCCCn1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000444899926 1075155813 /nfs/dbraw/zinc/15/58/13/1075155813.db2.gz QYUZZWLWSDKCMH-IBGZPJMESA-N 1 1 401.511 2.198 20 0 HDADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000429348582 1075160071 /nfs/dbraw/zinc/16/00/71/1075160071.db2.gz JPHYVQDYUQCZJD-SFHVURJKSA-N 1 1 411.428 2.546 20 0 HDADMO O=S(=O)(c1ccc(OCC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1)N1CCOCC1 ZINC000429254313 1075163321 /nfs/dbraw/zinc/16/33/21/1075163321.db2.gz KEHMDHWYPKGFMT-IBGZPJMESA-N 1 1 424.563 1.835 20 0 HDADMO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc2O1 ZINC000675469201 1075163595 /nfs/dbraw/zinc/16/35/95/1075163595.db2.gz HNVFJTYCKSTIJJ-CQSZACIVSA-N 1 1 410.517 1.608 20 0 HDADMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000144203523 1075165296 /nfs/dbraw/zinc/16/52/96/1075165296.db2.gz WEAWFCIWGYFMHA-QWHCGFSZSA-N 1 1 413.316 1.646 20 0 HDADMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000144203523 1075165298 /nfs/dbraw/zinc/16/52/98/1075165298.db2.gz WEAWFCIWGYFMHA-QWHCGFSZSA-N 1 1 413.316 1.646 20 0 HDADMO COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccccc1 ZINC000498760687 1075165423 /nfs/dbraw/zinc/16/54/23/1075165423.db2.gz CSHWQIQRVHMBFI-IBGZPJMESA-N 1 1 413.522 1.984 20 0 HDADMO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000429254301 1075166586 /nfs/dbraw/zinc/16/65/86/1075166586.db2.gz KDBBRQDFOCIVBS-IBGZPJMESA-N 1 1 421.563 1.268 20 0 HDADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Br)s1 ZINC000675467582 1075166745 /nfs/dbraw/zinc/16/67/45/1075166745.db2.gz YBBLPCATKMIPPE-CYBMUJFWSA-N 1 1 402.358 1.955 20 0 HDADMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c(Br)c1 ZINC000042744186 1075168998 /nfs/dbraw/zinc/16/89/98/1075168998.db2.gz INMWVDMVSNTTJQ-UHFFFAOYSA-N 1 1 404.330 1.200 20 0 HDADMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000144354724 1075170030 /nfs/dbraw/zinc/17/00/30/1075170030.db2.gz GCUBYJBKPQFECW-STQMWFEESA-N 1 1 413.421 1.810 20 0 HDADMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000144354724 1075170038 /nfs/dbraw/zinc/17/00/38/1075170038.db2.gz GCUBYJBKPQFECW-STQMWFEESA-N 1 1 413.421 1.810 20 0 HDADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1C ZINC000429352654 1075171472 /nfs/dbraw/zinc/17/14/72/1075171472.db2.gz IEFUUWBPTCLHPL-CQSZACIVSA-N 1 1 408.568 1.696 20 0 HDADMO O=C(C[NH2+][C@@H](Cn1cccn1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F ZINC000675497562 1075179379 /nfs/dbraw/zinc/17/93/79/1075179379.db2.gz KXCYYAPYHYNZRF-IBGZPJMESA-N 1 1 406.425 1.968 20 0 HDADMO C[C@H]1CN(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1CCO ZINC000429353142 1075182016 /nfs/dbraw/zinc/18/20/16/1075182016.db2.gz JHTMLABSEMNGLA-HNNXBMFYSA-N 1 1 412.556 1.435 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C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307111 1075503965 /nfs/dbraw/zinc/50/39/65/1075503965.db2.gz NQCVDJSAPKLTDA-LXZKKBNFSA-N 1 1 419.444 1.755 20 0 HDADMO C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307111 1075503970 /nfs/dbraw/zinc/50/39/70/1075503970.db2.gz NQCVDJSAPKLTDA-LXZKKBNFSA-N 1 1 419.444 1.755 20 0 HDADMO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676306525 1075504404 /nfs/dbraw/zinc/50/44/04/1075504404.db2.gz VIFQLQNMAHJASO-NSHGMRRFSA-N 1 1 418.538 1.335 20 0 HDADMO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676306525 1075504405 /nfs/dbraw/zinc/50/44/05/1075504405.db2.gz VIFQLQNMAHJASO-NSHGMRRFSA-N 1 1 418.538 1.335 20 0 HDADMO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307921 1075505129 /nfs/dbraw/zinc/50/51/29/1075505129.db2.gz TVPHQKDCNAKOHE-BWAGFHJFSA-N 1 1 424.545 1.932 20 0 HDADMO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307921 1075505133 /nfs/dbraw/zinc/50/51/33/1075505133.db2.gz TVPHQKDCNAKOHE-BWAGFHJFSA-N 1 1 424.545 1.932 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000676317022 1075505587 /nfs/dbraw/zinc/50/55/87/1075505587.db2.gz PEOJSADXDGKBGD-GOSISDBHSA-N 1 1 424.567 1.062 20 0 HDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3O)c2)CC1 ZINC000429424134 1075507400 /nfs/dbraw/zinc/50/74/00/1075507400.db2.gz KFYLINOUZUKECN-ROUUACIJSA-N 1 1 410.540 1.438 20 0 HDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3O)c2)CC1 ZINC000429424134 1075507406 /nfs/dbraw/zinc/50/74/06/1075507406.db2.gz KFYLINOUZUKECN-ROUUACIJSA-N 1 1 410.540 1.438 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nccc(N4CCOCC4)n3)c2)C1 ZINC000676310912 1075508995 /nfs/dbraw/zinc/50/89/95/1075508995.db2.gz QDFSHIJSOJOTCR-IBGZPJMESA-N 1 1 410.522 1.623 20 0 HDADMO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000676336506 1075511324 /nfs/dbraw/zinc/51/13/24/1075511324.db2.gz RSKVUSBQYNBRDM-SWLSCSKDSA-N 1 1 419.469 1.973 20 0 HDADMO Cn1cc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CC2=O)cn1 ZINC000429423345 1075511773 /nfs/dbraw/zinc/51/17/73/1075511773.db2.gz AKZPREAONJPXCM-DNVCBOLYSA-N 1 1 416.551 1.923 20 0 HDADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754705 1075511892 /nfs/dbraw/zinc/51/18/92/1075511892.db2.gz AHUBOKSWIZLKOA-LSDHHAIUSA-N 1 1 412.487 1.350 20 0 HDADMO CC(C)[C@H](CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000731756260 1075512238 /nfs/dbraw/zinc/51/22/38/1075512238.db2.gz GXDNBAXBRUFSRZ-ROUUACIJSA-N 1 1 411.591 1.909 20 0 HDADMO COc1cc(OC)c(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(OC)c1 ZINC000731757237 1075512858 /nfs/dbraw/zinc/51/28/58/1075512858.db2.gz VYTWJIVVILHVJL-UHFFFAOYSA-N 1 1 408.499 1.064 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000676347012 1075519613 /nfs/dbraw/zinc/51/96/13/1075519613.db2.gz FXYXDRSNEXJIAQ-YWZLYKJASA-N 1 1 419.522 1.204 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000676347012 1075519617 /nfs/dbraw/zinc/51/96/17/1075519617.db2.gz FXYXDRSNEXJIAQ-YWZLYKJASA-N 1 1 419.522 1.204 20 0 HDADMO C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676332214 1075521306 /nfs/dbraw/zinc/52/13/06/1075521306.db2.gz JLDHWWSXOHOSQR-ZLGUVYLKSA-N 1 1 421.497 1.729 20 0 HDADMO C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676332214 1075521310 /nfs/dbraw/zinc/52/13/10/1075521310.db2.gz JLDHWWSXOHOSQR-ZLGUVYLKSA-N 1 1 421.497 1.729 20 0 HDADMO C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676332210 1075521341 /nfs/dbraw/zinc/52/13/41/1075521341.db2.gz JLDHWWSXOHOSQR-ORYQWCPZSA-N 1 1 421.497 1.729 20 0 HDADMO C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676332210 1075521345 /nfs/dbraw/zinc/52/13/45/1075521345.db2.gz JLDHWWSXOHOSQR-ORYQWCPZSA-N 1 1 421.497 1.729 20 0 HDADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(OC)c1 ZINC000676332225 1075521360 /nfs/dbraw/zinc/52/13/60/1075521360.db2.gz JVTSZQXHQZJKNW-BJZITVGISA-N 1 1 405.495 1.144 20 0 HDADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OC)c1 ZINC000676332225 1075521363 /nfs/dbraw/zinc/52/13/63/1075521363.db2.gz JVTSZQXHQZJKNW-BJZITVGISA-N 1 1 405.495 1.144 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676332366 1075523087 /nfs/dbraw/zinc/52/30/87/1075523087.db2.gz CFDGAGUROGJETM-BEVDRBHNSA-N 1 1 400.523 1.687 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332366 1075523092 /nfs/dbraw/zinc/52/30/92/1075523092.db2.gz CFDGAGUROGJETM-BEVDRBHNSA-N 1 1 400.523 1.687 20 0 HDADMO Cc1ccc(NC(=O)C(=O)NCC(C)(C)CO)cc1NC(=O)C[NH+]1CCCCC1 ZINC000676362384 1075524955 /nfs/dbraw/zinc/52/49/55/1075524955.db2.gz XUKUNXXBPCJQCU-UHFFFAOYSA-N 1 1 404.511 1.493 20 0 HDADMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000731827254 1075525199 /nfs/dbraw/zinc/52/51/99/1075525199.db2.gz VNWRALMRZOEQMX-CYBMUJFWSA-N 1 1 417.959 1.555 20 0 HDADMO C[C@@H](O)C[NH+]1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000731827270 1075525361 /nfs/dbraw/zinc/52/53/61/1075525361.db2.gz VXWWAFQQMGGRFL-BAACNHRGSA-N 1 1 408.462 1.456 20 0 HDADMO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000731846968 1075531027 /nfs/dbraw/zinc/53/10/27/1075531027.db2.gz DSTFLBNYPPSHQX-SFHVURJKSA-N 1 1 400.523 1.704 20 0 HDADMO O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000731846968 1075531028 /nfs/dbraw/zinc/53/10/28/1075531028.db2.gz DSTFLBNYPPSHQX-SFHVURJKSA-N 1 1 400.523 1.704 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676357511 1075531373 /nfs/dbraw/zinc/53/13/73/1075531373.db2.gz FPIPJNMYWSKRFL-IRXDYDNUSA-N 1 1 412.490 1.177 20 0 HDADMO CC(=O)N[C@@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000676388610 1075534741 /nfs/dbraw/zinc/53/47/41/1075534741.db2.gz PMWWKBQWGWZLIK-ROUUACIJSA-N 1 1 424.339 1.950 20 0 HDADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1Cc2ccccc2C(F)(F)C1 ZINC000676376636 1075537272 /nfs/dbraw/zinc/53/72/72/1075537272.db2.gz ZJAGKIHHHTZXPT-SFHVURJKSA-N 1 1 407.461 1.834 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@H](OCCO)C3)cc2)CC1 ZINC000676376531 1075537378 /nfs/dbraw/zinc/53/73/78/1075537378.db2.gz RUKIZMPVMLZOJK-IBGZPJMESA-N 1 1 404.511 1.470 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000676380225 1075538121 /nfs/dbraw/zinc/53/81/21/1075538121.db2.gz IHCUBVOSEBHOSD-GOSISDBHSA-N 1 1 412.490 1.413 20 0 HDADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCNS(C)(=O)=O ZINC000676395641 1075542523 /nfs/dbraw/zinc/54/25/23/1075542523.db2.gz WCCIKPHWRNEIIA-QGZVFWFLSA-N 1 1 405.524 1.516 20 0 HDADMO CS(=O)(=O)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1C(F)(F)F ZINC000447669181 1075543796 /nfs/dbraw/zinc/54/37/96/1075543796.db2.gz FJCJKBWXWFBXML-UHFFFAOYSA-N 1 1 416.425 2.348 20 0 HDADMO C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676402237 1075544259 /nfs/dbraw/zinc/54/42/59/1075544259.db2.gz RFNHOPBLYLXIKX-RDTXWAMCSA-N 1 1 414.531 1.922 20 0 HDADMO C[C@@H](NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676402237 1075544261 /nfs/dbraw/zinc/54/42/61/1075544261.db2.gz RFNHOPBLYLXIKX-RDTXWAMCSA-N 1 1 414.531 1.922 20 0 HDADMO CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000731843357 1075547400 /nfs/dbraw/zinc/54/74/00/1075547400.db2.gz QQAMMROXGKTMOS-CXUHLZMHSA-N 1 1 423.579 1.472 20 0 HDADMO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)s1 ZINC000569274240 1075547553 /nfs/dbraw/zinc/54/75/53/1075547553.db2.gz FYUWFWHPEBBBLP-UONOGXRCSA-N 1 1 419.555 2.568 20 0 HDADMO COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000731842896 1075548040 /nfs/dbraw/zinc/54/80/40/1075548040.db2.gz JULWOZBGRFPUOV-SQFNAUOLSA-N 1 1 410.584 1.068 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC1(CCO)CCOCC1 ZINC000676442419 1075550370 /nfs/dbraw/zinc/55/03/70/1075550370.db2.gz UGJIUQNJULKXCH-UHFFFAOYSA-N 1 1 420.510 1.136 20 0 HDADMO CC(C)C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[NH+]1CCOCC1 ZINC000026366157 1075550437 /nfs/dbraw/zinc/55/04/37/1075550437.db2.gz ABNFJEHSDFDSEY-SFHVURJKSA-N 1 1 411.568 1.850 20 0 HDADMO CC(C)C[C@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[NH+]1CCOCC1 ZINC000026366160 1075550496 /nfs/dbraw/zinc/55/04/96/1075550496.db2.gz ABNFJEHSDFDSEY-GOSISDBHSA-N 1 1 411.568 1.850 20 0 HDADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)CC1 ZINC000676450583 1075557082 /nfs/dbraw/zinc/55/70/82/1075557082.db2.gz ZUMBBKOZUKZQEL-GOSISDBHSA-N 1 1 413.522 1.308 20 0 HDADMO CCc1ccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000804157670 1075562692 /nfs/dbraw/zinc/56/26/92/1075562692.db2.gz ZDBKRZHWMGBJMB-WOJBJXKFSA-N 1 1 403.523 1.112 20 0 HDADMO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000676486604 1075568066 /nfs/dbraw/zinc/56/80/66/1075568066.db2.gz ZTEOLBZQOHTXSQ-FQEVSTJZSA-N 1 1 408.587 1.863 20 0 HDADMO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)CCO2 ZINC000676496790 1075569056 /nfs/dbraw/zinc/56/90/56/1075569056.db2.gz YIYBMQJVWZNBIA-QFBILLFUSA-N 1 1 417.506 1.206 20 0 HDADMO O=C1c2ccccc2C(=O)N1CCCCNC(=S)NCCC[NH+]1CCOCC1 ZINC000731946374 1075572639 /nfs/dbraw/zinc/57/26/39/1075572639.db2.gz BZCQGETTYHTJRN-UHFFFAOYSA-N 1 1 404.536 1.249 20 0 HDADMO C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1nc2ccccc2s1 ZINC000804165624 1075573609 /nfs/dbraw/zinc/57/36/09/1075573609.db2.gz DRJOPTGINDQIMY-JKSUJKDBSA-N 1 1 415.563 1.712 20 0 HDADMO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CCO2 ZINC000676530221 1075582394 /nfs/dbraw/zinc/58/23/94/1075582394.db2.gz JAJVMHXKVWZTGA-LZQZEXGQSA-N 1 1 401.507 1.968 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C1=CC[N@@H+](C)CC1 ZINC000442337943 1075583774 /nfs/dbraw/zinc/58/37/74/1075583774.db2.gz WRMYITJCYTWEQW-GFCCVEGCSA-N 1 1 422.411 1.991 20 0 HDADMO CN(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446852190 1075585273 /nfs/dbraw/zinc/58/52/73/1075585273.db2.gz MXEQWNQBOKLSIV-HXUWFJFHSA-N 1 1 403.486 2.544 20 0 HDADMO CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444528996 1075586417 /nfs/dbraw/zinc/58/64/17/1075586417.db2.gz ZXFLMNWKWIOGAG-MRXNPFEDSA-N 1 1 405.449 2.210 20 0 HDADMO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676556474 1075588392 /nfs/dbraw/zinc/58/83/92/1075588392.db2.gz RRXPSJBPWKCVHF-OXJNMPFZSA-N 1 1 408.506 1.740 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000732032378 1075591787 /nfs/dbraw/zinc/59/17/87/1075591787.db2.gz IOFLQGRUDAIWID-MRXNPFEDSA-N 1 1 400.504 1.217 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000732032378 1075591792 /nfs/dbraw/zinc/59/17/92/1075591792.db2.gz IOFLQGRUDAIWID-MRXNPFEDSA-N 1 1 400.504 1.217 20 0 HDADMO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)C2=O)cc1 ZINC000732035011 1075592239 /nfs/dbraw/zinc/59/22/39/1075592239.db2.gz JDLYHCWUIVMXFP-KKSFZXQISA-N 1 1 400.479 1.157 20 0 HDADMO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)o1 ZINC000676546576 1075593678 /nfs/dbraw/zinc/59/36/78/1075593678.db2.gz JCLPXAPLHDDZCB-QGZVFWFLSA-N 1 1 415.494 1.485 20 0 HDADMO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000676547526 1075594081 /nfs/dbraw/zinc/59/40/81/1075594081.db2.gz QQKLTWJQWCQZSR-UHFFFAOYSA-N 1 1 424.530 1.713 20 0 HDADMO O=C(CNC(=O)OCC(F)(F)F)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732057308 1075596427 /nfs/dbraw/zinc/59/64/27/1075596427.db2.gz MMKRGCZOHRQWRN-UHFFFAOYSA-N 1 1 406.380 1.352 20 0 HDADMO COC1(CNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCOCC1 ZINC000676569382 1075598728 /nfs/dbraw/zinc/59/87/28/1075598728.db2.gz BHLGEYRGIJGAFC-UHFFFAOYSA-N 1 1 410.946 1.957 20 0 HDADMO Cn1cc(-c2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)nn2)cn1 ZINC000433677511 1075598736 /nfs/dbraw/zinc/59/87/36/1075598736.db2.gz AUJMLIFXROAQSX-YLJYHZDGSA-N 1 1 421.505 1.882 20 0 HDADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)OCC(F)(F)F)c2)CCO1 ZINC000732062715 1075598977 /nfs/dbraw/zinc/59/89/77/1075598977.db2.gz WEYOMGLLJHQOFI-ZDUSSCGKSA-N 1 1 403.401 1.812 20 0 HDADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)OCC(F)(F)F)c2)CCO1 ZINC000732062715 1075598981 /nfs/dbraw/zinc/59/89/81/1075598981.db2.gz WEYOMGLLJHQOFI-ZDUSSCGKSA-N 1 1 403.401 1.812 20 0 HDADMO CCOC(=O)N1CCCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000804176316 1075603660 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C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676258544 1075455879 /nfs/dbraw/zinc/45/58/79/1075455879.db2.gz JFOBHCKFIHVZQO-HEHGZKQESA-N 1 1 410.312 1.637 20 0 HDADMO C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676258544 1075455886 /nfs/dbraw/zinc/45/58/86/1075455886.db2.gz JFOBHCKFIHVZQO-HEHGZKQESA-N 1 1 410.312 1.637 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676259385 1075457135 /nfs/dbraw/zinc/45/71/35/1075457135.db2.gz LHUJRNZIGCHNIY-HDMKZQKVSA-N 1 1 413.515 1.062 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676259385 1075457138 /nfs/dbraw/zinc/45/71/38/1075457138.db2.gz LHUJRNZIGCHNIY-HDMKZQKVSA-N 1 1 413.515 1.062 20 0 HDADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676261980 1075459221 /nfs/dbraw/zinc/45/92/21/1075459221.db2.gz SXKGXIPJSNWRDU-APWZRJJASA-N 1 1 409.552 1.700 20 0 HDADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676261980 1075459225 /nfs/dbraw/zinc/45/92/25/1075459225.db2.gz SXKGXIPJSNWRDU-APWZRJJASA-N 1 1 409.552 1.700 20 0 HDADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676261982 1075459391 /nfs/dbraw/zinc/45/93/91/1075459391.db2.gz SXKGXIPJSNWRDU-QFBILLFUSA-N 1 1 409.552 1.700 20 0 HDADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676261982 1075459397 /nfs/dbraw/zinc/45/93/97/1075459397.db2.gz SXKGXIPJSNWRDU-QFBILLFUSA-N 1 1 409.552 1.700 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1CN(C)CCO1 ZINC000676262270 1075461614 /nfs/dbraw/zinc/46/16/14/1075461614.db2.gz BUGRVMKSVKUMSV-UTKZUKDTSA-N 1 1 415.538 1.814 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000676262265 1075461791 /nfs/dbraw/zinc/46/17/91/1075461791.db2.gz WXQAKHMQIQCFOP-VWYCJHECSA-N 1 1 404.330 1.464 20 0 HDADMO 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CC[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000543666711 1075469312 /nfs/dbraw/zinc/46/93/12/1075469312.db2.gz BQNJMRXCARVGAL-ACRUOGEOSA-N 1 1 402.539 1.392 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC000804221223 1075469886 /nfs/dbraw/zinc/46/98/86/1075469886.db2.gz KADKVAJMLQMVQU-MRXNPFEDSA-N 1 1 410.559 1.692 20 0 HDADMO CCOCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1C ZINC000676278147 1075476202 /nfs/dbraw/zinc/47/62/02/1075476202.db2.gz FDLOQDPPLXZINV-QFBILLFUSA-N 1 1 407.511 1.322 20 0 HDADMO CCOCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1C ZINC000676278147 1075476208 /nfs/dbraw/zinc/47/62/08/1075476208.db2.gz FDLOQDPPLXZINV-QFBILLFUSA-N 1 1 407.511 1.322 20 0 HDADMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000429414984 1075476997 /nfs/dbraw/zinc/47/69/97/1075476997.db2.gz GYYWIWCXEOVHLJ-CYBMUJFWSA-N 1 1 402.900 1.469 20 0 HDADMO COCCC[N@H+](C)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766171860 1075479003 /nfs/dbraw/zinc/47/90/03/1075479003.db2.gz BQYDYPANXRLUOF-HNNXBMFYSA-N 1 1 421.585 1.031 20 0 HDADMO COCCC[N@@H+](C)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766171860 1075479008 /nfs/dbraw/zinc/47/90/08/1075479008.db2.gz BQYDYPANXRLUOF-HNNXBMFYSA-N 1 1 421.585 1.031 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676278970 1075479240 /nfs/dbraw/zinc/47/92/40/1075479240.db2.gz LCXBVRSVUZKSJJ-RNCFNFMXSA-N 1 1 423.363 1.663 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278970 1075479243 /nfs/dbraw/zinc/47/92/43/1075479243.db2.gz LCXBVRSVUZKSJJ-RNCFNFMXSA-N 1 1 423.363 1.663 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OC1CCOCC1 ZINC000676280847 1075485374 /nfs/dbraw/zinc/48/53/74/1075485374.db2.gz UDDZOFZNSDMYDJ-BEFAXECRSA-N 1 1 405.495 1.327 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OC1CCOCC1 ZINC000676280847 1075485380 /nfs/dbraw/zinc/48/53/80/1075485380.db2.gz UDDZOFZNSDMYDJ-BEFAXECRSA-N 1 1 405.495 1.327 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676280357 1075487150 /nfs/dbraw/zinc/48/71/50/1075487150.db2.gz SAMCLJOVCJBSDG-MFKMUULPSA-N 1 1 405.442 1.957 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280357 1075487155 /nfs/dbraw/zinc/48/71/55/1075487155.db2.gz SAMCLJOVCJBSDG-MFKMUULPSA-N 1 1 405.442 1.957 20 0 HDADMO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676282063 1075487762 /nfs/dbraw/zinc/48/77/62/1075487762.db2.gz QSCFNIACZOJMGA-HNAYVOBHSA-N 1 1 416.522 1.441 20 0 HDADMO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676282063 1075487766 /nfs/dbraw/zinc/48/77/66/1075487766.db2.gz QSCFNIACZOJMGA-HNAYVOBHSA-N 1 1 416.522 1.441 20 0 HDADMO 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C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000676336489 1075511298 /nfs/dbraw/zinc/51/12/98/1075511298.db2.gz RGQUAZIVGZRSHA-STQMWFEESA-N 1 1 407.458 1.830 20 0 HDADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754702 1075511884 /nfs/dbraw/zinc/51/18/84/1075511884.db2.gz AHUBOKSWIZLKOA-CABCVRRESA-N 1 1 412.487 1.350 20 0 HDADMO CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000731761017 1075515655 /nfs/dbraw/zinc/51/56/55/1075515655.db2.gz NQOVRPUOHYCCJN-UHFFFAOYSA-N 1 1 416.632 1.649 20 0 HDADMO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429426639 1075518662 /nfs/dbraw/zinc/51/86/62/1075518662.db2.gz PXBXHXWZNFJSCK-ZDUSSCGKSA-N 1 1 419.341 1.801 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000804221890 1075519402 /nfs/dbraw/zinc/51/94/02/1075519402.db2.gz XMFLWGXPGBCDEU-INIZCTEOSA-N 1 1 412.575 1.938 20 0 HDADMO 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PIYYWOSUTMEOOP-MRXNPFEDSA-N 1 1 401.511 1.387 20 0 HDADMO Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000466607682 1074083117 /nfs/dbraw/zinc/08/31/17/1074083117.db2.gz MZVJMDGPVPJALP-UGKGYDQZSA-N 1 1 421.538 1.435 20 0 HDADMO CCC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543561279 1074099940 /nfs/dbraw/zinc/09/99/40/1074099940.db2.gz WRTIMKHORJKNQU-LJQANCHMSA-N 1 1 423.579 1.978 20 0 HDADMO O=C(Nc1ccc(OCC(F)F)cc1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000674038433 1074110817 /nfs/dbraw/zinc/11/08/17/1074110817.db2.gz CVHANKWZFJIFDO-QGZVFWFLSA-N 1 1 411.449 1.982 20 0 HDADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)C[C@@H](C)O1 ZINC000466623523 1074138945 /nfs/dbraw/zinc/13/89/45/1074138945.db2.gz RXFCRLOJRMVBBN-QINHECLXSA-N 1 1 403.523 1.696 20 0 HDADMO Cn1cc[nH+]c1CC1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429217802 1074155613 /nfs/dbraw/zinc/15/56/13/1074155613.db2.gz HWVPDRNHHGJZNG-UHFFFAOYSA-N 1 1 411.466 1.597 20 0 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FZDMAYNAXQTRQR-HNNXBMFYSA-N 1 1 421.339 1.714 20 0 HDADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000544517621 1074712168 /nfs/dbraw/zinc/71/21/68/1074712168.db2.gz PIYDXPSKKKHYGJ-UHFFFAOYSA-N 1 1 418.542 1.873 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nn1C1CCCCC1 ZINC000574005896 1074714512 /nfs/dbraw/zinc/71/45/12/1074714512.db2.gz DTEFSZYYDZJTRR-KRWDZBQOSA-N 1 1 417.554 2.347 20 0 HDADMO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000536797484 1074718109 /nfs/dbraw/zinc/71/81/09/1074718109.db2.gz SEEDASDIPPNLQH-UHFFFAOYSA-N 1 1 405.462 1.634 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000561809832 1074726984 /nfs/dbraw/zinc/72/69/84/1074726984.db2.gz DYZWXJCPQPYKGO-DZGCQCFKSA-N 1 1 403.508 2.428 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000467469226 1074727361 /nfs/dbraw/zinc/72/73/61/1074727361.db2.gz MUBDGHBTCOWWCE-DZGCQCFKSA-N 1 1 403.508 2.428 20 0 HDADMO COc1ccc(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1OC ZINC000675132727 1074736834 /nfs/dbraw/zinc/73/68/34/1074736834.db2.gz PMAIARSSYJMIRW-GOSISDBHSA-N 1 1 405.539 1.504 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CCN2C1=O ZINC000675140696 1074739550 /nfs/dbraw/zinc/73/95/50/1074739550.db2.gz JVYDMSGBPOWYNS-KRWDZBQOSA-N 1 1 417.535 1.736 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1[C@@H](C)C1CC1 ZINC000583958139 1074740261 /nfs/dbraw/zinc/74/02/61/1074740261.db2.gz CAIMPLLOMBXZKB-KRWDZBQOSA-N 1 1 417.554 2.252 20 0 HDADMO Cc1cc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(C)n1CC(F)(F)F ZINC000675143849 1074742389 /nfs/dbraw/zinc/74/23/89/1074742389.db2.gz FUOKHVNIBIFOGV-AWEZNQCLSA-N 1 1 409.474 1.858 20 0 HDADMO C[NH+]1CCN(CC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000675147952 1074744280 /nfs/dbraw/zinc/74/42/80/1074744280.db2.gz VGBZUNVBMDTTAO-ZDUSSCGKSA-N 1 1 405.852 1.696 20 0 HDADMO C[NH+]1CCN(CC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000675147949 1074744484 /nfs/dbraw/zinc/74/44/84/1074744484.db2.gz VGBZUNVBMDTTAO-CYBMUJFWSA-N 1 1 405.852 1.696 20 0 HDADMO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2=O)cc1 ZINC000675189544 1074752675 /nfs/dbraw/zinc/75/26/75/1074752675.db2.gz PHGJYWZLRPWLIC-RTBURBONSA-N 1 1 400.523 1.011 20 0 HDADMO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2=O)cc1 ZINC000675189544 1074752681 /nfs/dbraw/zinc/75/26/81/1074752681.db2.gz PHGJYWZLRPWLIC-RTBURBONSA-N 1 1 400.523 1.011 20 0 HDADMO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cc1 ZINC000675189506 1074752724 /nfs/dbraw/zinc/75/27/24/1074752724.db2.gz KGCLUGKPMRCFNJ-AABGKKOBSA-N 1 1 412.534 1.155 20 0 HDADMO CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429322283 1074754412 /nfs/dbraw/zinc/75/44/12/1074754412.db2.gz JSRFNCXWXIIIHJ-QRVBRYPASA-N 1 1 402.539 1.568 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675220078 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XUXLABBZASHEAA-QGZVFWFLSA-N 1 1 401.536 1.912 20 0 HDADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429243988 1074778909 /nfs/dbraw/zinc/77/89/09/1074778909.db2.gz CYRNMAYIJPWAQW-WMLDXEAASA-N 1 1 407.536 1.360 20 0 HDADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429243988 1074778915 /nfs/dbraw/zinc/77/89/15/1074778915.db2.gz CYRNMAYIJPWAQW-WMLDXEAASA-N 1 1 407.536 1.360 20 0 HDADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291909 1074782408 /nfs/dbraw/zinc/78/24/08/1074782408.db2.gz WQSVENLCIANVSK-CPUCHLNUSA-N 1 1 422.476 1.423 20 0 HDADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291911 1074782551 /nfs/dbraw/zinc/78/25/51/1074782551.db2.gz WQSVENLCIANVSK-KEYYUXOJSA-N 1 1 422.476 1.423 20 0 HDADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000675290924 1074782600 /nfs/dbraw/zinc/78/26/00/1074782600.db2.gz FWORZXXYAVHROR-MOPGFXCFSA-N 1 1 418.513 1.376 20 0 HDADMO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)[NH+]1CCOCC1 ZINC000554748416 1074786144 /nfs/dbraw/zinc/78/61/44/1074786144.db2.gz AGIXNVROVVUREX-LPHOPBHVSA-N 1 1 419.570 2.354 20 0 HDADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498649872 1074804319 /nfs/dbraw/zinc/80/43/19/1074804319.db2.gz OMERDFCXOWJNJA-UHFFFAOYSA-N 1 1 419.485 1.959 20 0 HDADMO O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000675335769 1074805182 /nfs/dbraw/zinc/80/51/82/1074805182.db2.gz SLHVXTRSJWUIGE-UHFFFAOYSA-N 1 1 406.530 1.789 20 0 HDADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675326777 1074808022 /nfs/dbraw/zinc/80/80/22/1074808022.db2.gz ZXKICLDEIXIXQK-JLZZUVOBSA-N 1 1 404.898 1.160 20 0 HDADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1nc2cc(Cl)ccn2n1 ZINC000582934244 1074811654 /nfs/dbraw/zinc/81/16/54/1074811654.db2.gz GRSLCYJEVUYOTE-UHFFFAOYSA-N 1 1 400.870 2.537 20 0 HDADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1nc2cc(Cl)ccn2n1 ZINC000583758418 1074815670 /nfs/dbraw/zinc/81/56/70/1074815670.db2.gz IDHPGGCNCOCQLF-MRXNPFEDSA-N 1 1 400.870 2.271 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@H]21 ZINC000766109888 1074817045 /nfs/dbraw/zinc/81/70/45/1074817045.db2.gz QPSWFAUIMJLONV-IUODEOHRSA-N 1 1 405.300 1.981 20 0 HDADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nnnn1CC1CCOCC1 ZINC000766113262 1074820467 /nfs/dbraw/zinc/82/04/67/1074820467.db2.gz JIVTVOZXBGFJMM-CYBMUJFWSA-N 1 1 411.507 1.601 20 0 HDADMO O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000560215821 1074820640 /nfs/dbraw/zinc/82/06/40/1074820640.db2.gz IIGQIVDAFLLHCP-UHFFFAOYSA-N 1 1 413.869 1.768 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCC(C)(O)CC2)cc1 ZINC000675367639 1074822108 /nfs/dbraw/zinc/82/21/08/1074822108.db2.gz SEIXYIUIYIECOP-UHFFFAOYSA-N 1 1 403.527 1.276 20 0 HDADMO Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)no1 ZINC000501987357 1075094811 /nfs/dbraw/zinc/09/48/11/1075094811.db2.gz VRRROGKKQAYFRF-NRFANRHFSA-N 1 1 411.462 1.898 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000429332418 1075096024 /nfs/dbraw/zinc/09/60/24/1075096024.db2.gz XBSJMHGXQULTEY-MRXNPFEDSA-N 1 1 404.511 1.468 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@H+]1CCO ZINC000429332418 1075096026 /nfs/dbraw/zinc/09/60/26/1075096026.db2.gz XBSJMHGXQULTEY-MRXNPFEDSA-N 1 1 404.511 1.468 20 0 HDADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429247856 1075116400 /nfs/dbraw/zinc/11/64/00/1075116400.db2.gz XPVZSWACZIDWPI-SFHVURJKSA-N 1 1 407.580 1.648 20 0 HDADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000509331300 1075120735 /nfs/dbraw/zinc/12/07/35/1075120735.db2.gz MBELYLFKUIJBGF-GFCCVEGCSA-N 1 1 419.345 1.386 20 0 HDADMO CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ncnc2nc[nH]c21 ZINC000429341650 1075122532 /nfs/dbraw/zinc/12/25/32/1075122532.db2.gz QETDPZZYIPHQGM-KRWDZBQOSA-N 1 1 409.494 1.196 20 0 HDADMO CN(CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ncnc2[nH]cnc21 ZINC000429341650 1075122536 /nfs/dbraw/zinc/12/25/36/1075122536.db2.gz QETDPZZYIPHQGM-KRWDZBQOSA-N 1 1 409.494 1.196 20 0 HDADMO CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ncnc2[nH]cnc21 ZINC000429341650 1075122538 /nfs/dbraw/zinc/12/25/38/1075122538.db2.gz QETDPZZYIPHQGM-KRWDZBQOSA-N 1 1 409.494 1.196 20 0 HDADMO CCCN1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000477794725 1075123441 /nfs/dbraw/zinc/12/34/41/1075123441.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 1 1 404.559 1.724 20 0 HDADMO CCCN1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000477794725 1075123443 /nfs/dbraw/zinc/12/34/43/1075123443.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 1 1 404.559 1.724 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000501904972 1075126578 /nfs/dbraw/zinc/12/65/78/1075126578.db2.gz 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/nfs/dbraw/zinc/48/15/19/1075481519.db2.gz NFZCCFZCHSCMNV-UFBFGSQYSA-N 1 1 406.227 1.501 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280061 1075482786 /nfs/dbraw/zinc/48/27/86/1075482786.db2.gz QWJCQENOHDWICD-KSSFIOAISA-N 1 1 402.495 1.133 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280061 1075482795 /nfs/dbraw/zinc/48/27/95/1075482795.db2.gz QWJCQENOHDWICD-KSSFIOAISA-N 1 1 402.495 1.133 20 0 HDADMO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000543667954 1075483810 /nfs/dbraw/zinc/48/38/10/1075483810.db2.gz LSYFNWGLCRKZFG-SFHVURJKSA-N 1 1 402.605 1.715 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280951 1075485102 /nfs/dbraw/zinc/48/51/02/1075485102.db2.gz LAIQTIFNDKUHNZ-BEFAXECRSA-N 1 1 410.474 1.713 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280951 1075485105 /nfs/dbraw/zinc/48/51/05/1075485105.db2.gz LAIQTIFNDKUHNZ-BEFAXECRSA-N 1 1 410.474 1.713 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280288 1075486672 /nfs/dbraw/zinc/48/66/72/1075486672.db2.gz UXBUCIWGQUQXAN-LPHOPBHVSA-N 1 1 416.522 1.477 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280288 1075486676 /nfs/dbraw/zinc/48/66/76/1075486676.db2.gz UXBUCIWGQUQXAN-LPHOPBHVSA-N 1 1 416.522 1.477 20 0 HDADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1)C(C)C ZINC000676281791 1075488351 /nfs/dbraw/zinc/48/83/51/1075488351.db2.gz WPJLZMGMEPLGGV-DNVCBOLYSA-N 1 1 404.511 1.217 20 0 HDADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1)C(C)C ZINC000676281791 1075488353 /nfs/dbraw/zinc/48/83/53/1075488353.db2.gz WPJLZMGMEPLGGV-DNVCBOLYSA-N 1 1 404.511 1.217 20 0 HDADMO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676281602 1075488685 /nfs/dbraw/zinc/48/86/85/1075488685.db2.gz YZKGXTDYLZQYGL-ABAIWWIYSA-N 1 1 414.300 1.622 20 0 HDADMO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281602 1075488689 /nfs/dbraw/zinc/48/86/89/1075488689.db2.gz YZKGXTDYLZQYGL-ABAIWWIYSA-N 1 1 414.300 1.622 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000731739078 1075489112 /nfs/dbraw/zinc/48/91/12/1075489112.db2.gz JDNZEUYPEWGAIX-MRXNPFEDSA-N 1 1 405.495 1.296 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676281371 1075489071 /nfs/dbraw/zinc/48/90/71/1075489071.db2.gz VZRYMWMNIMOVQT-DYVFJYSZSA-N 1 1 405.886 1.359 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281371 1075489078 /nfs/dbraw/zinc/48/90/78/1075489078.db2.gz VZRYMWMNIMOVQT-DYVFJYSZSA-N 1 1 405.886 1.359 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676281373 1075489285 /nfs/dbraw/zinc/48/92/85/1075489285.db2.gz VZRYMWMNIMOVQT-GUYCJALGSA-N 1 1 405.886 1.359 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281373 1075489287 /nfs/dbraw/zinc/48/92/87/1075489287.db2.gz VZRYMWMNIMOVQT-GUYCJALGSA-N 1 1 405.886 1.359 20 0 HDADMO C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1C[N@H+](C)CCO1 ZINC000676287061 1075491039 /nfs/dbraw/zinc/49/10/39/1075491039.db2.gz NOJSWSZFNLGNMM-RRFJBIMHSA-N 1 1 401.554 1.127 20 0 HDADMO C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287061 1075491041 /nfs/dbraw/zinc/49/10/41/1075491041.db2.gz NOJSWSZFNLGNMM-RRFJBIMHSA-N 1 1 401.554 1.127 20 0 HDADMO O=S(=O)(c1ccccc1)N1CCC(CNc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676309253 1075493970 /nfs/dbraw/zinc/49/39/70/1075493970.db2.gz LCUWFVVKUIJNQX-UHFFFAOYSA-N 1 1 417.535 1.826 20 0 HDADMO COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676291977 1075495938 /nfs/dbraw/zinc/49/59/38/1075495938.db2.gz GZPQXYKDDUEOIO-OXQOHEQNSA-N 1 1 418.538 1.247 20 0 HDADMO COc1ccccc1CC(=O)N1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676291977 1075495941 /nfs/dbraw/zinc/49/59/41/1075495941.db2.gz GZPQXYKDDUEOIO-OXQOHEQNSA-N 1 1 418.538 1.247 20 0 HDADMO COc1ccc2c(c1)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)CCO2 ZINC000466726574 1075499757 /nfs/dbraw/zinc/49/97/57/1075499757.db2.gz BXNVEDMJSITOTM-AZUAARDMSA-N 1 1 417.506 1.348 20 0 HDADMO CCO[C@@H]1COCC[C@@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000546825373 1075501486 /nfs/dbraw/zinc/50/14/86/1075501486.db2.gz SGCVMQHEOGJMDT-VQTJNVASSA-N 1 1 406.527 1.510 20 0 HDADMO C[C@H](NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676305296 1075503221 /nfs/dbraw/zinc/50/32/21/1075503221.db2.gz HCKPDMVZGGFBBJ-NOLJZWGESA-N 1 1 405.417 1.463 20 0 HDADMO C[C@H](NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676305296 1075503227 /nfs/dbraw/zinc/50/32/27/1075503227.db2.gz HCKPDMVZGGFBBJ-NOLJZWGESA-N 1 1 405.417 1.463 20 0 HDADMO CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434807788 1075503788 /nfs/dbraw/zinc/50/37/88/1075503788.db2.gz HELGIBMQWAYCGZ-LSDHHAIUSA-N 1 1 400.483 1.980 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000676336590 1075511279 /nfs/dbraw/zinc/51/12/79/1075511279.db2.gz RPIMOJCJAONZRM-QFIPXVFZSA-N 1 1 422.529 1.820 20 0 HDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@@H]3CCO)c2)CC1 ZINC000429423121 1075512298 /nfs/dbraw/zinc/51/22/98/1075512298.db2.gz IIKWKFQRYWYBDP-QGZVFWFLSA-N 1 1 410.540 1.392 20 0 HDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@@H]3CCO)c2)CC1 ZINC000429423121 1075512301 /nfs/dbraw/zinc/51/23/01/1075512301.db2.gz IIKWKFQRYWYBDP-QGZVFWFLSA-N 1 1 410.540 1.392 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000731757380 1075512922 /nfs/dbraw/zinc/51/29/22/1075512922.db2.gz DQQUDYFWAJVQNT-INIZCTEOSA-N 1 1 411.547 1.238 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000731756890 1075513273 /nfs/dbraw/zinc/51/32/73/1075513273.db2.gz KSGAZSXYIXBLDW-UHFFFAOYSA-N 1 1 411.547 1.238 20 0 HDADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(Br)nnn1C ZINC000711781066 1075516222 /nfs/dbraw/zinc/51/62/22/1075516222.db2.gz WUMZSSLMUVUYOK-QGZVFWFLSA-N 1 1 408.300 1.287 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000731762072 1075516413 /nfs/dbraw/zinc/51/64/13/1075516413.db2.gz AOIQNCPIGHCXHT-INIZCTEOSA-N 1 1 416.444 1.591 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000731761941 1075516800 /nfs/dbraw/zinc/51/68/00/1075516800.db2.gz PNFQQLKIPPVHKJ-UHFFFAOYSA-N 1 1 411.547 1.191 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676332374 1075522986 /nfs/dbraw/zinc/52/29/86/1075522986.db2.gz CFDGAGUROGJETM-CDHQVMDDSA-N 1 1 400.523 1.687 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676332374 1075522992 /nfs/dbraw/zinc/52/29/92/1075522992.db2.gz CFDGAGUROGJETM-CDHQVMDDSA-N 1 1 400.523 1.687 20 0 HDADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CO)c1 ZINC000676361886 1075524240 /nfs/dbraw/zinc/52/42/40/1075524240.db2.gz FVNGWMIJWRMRRW-AWEZNQCLSA-N 1 1 422.501 1.712 20 0 HDADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CO)c1 ZINC000676361886 1075524252 /nfs/dbraw/zinc/52/42/52/1075524252.db2.gz FVNGWMIJWRMRRW-AWEZNQCLSA-N 1 1 422.501 1.712 20 0 HDADMO O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CC[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC001084945850 1075527076 /nfs/dbraw/zinc/52/70/76/1075527076.db2.gz VZKSAEYJQUDZNY-ZRSRNVLSSA-N 1 1 400.523 1.453 20 0 HDADMO CN(C)C(=O)c1cc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000429428699 1075527251 /nfs/dbraw/zinc/52/72/51/1075527251.db2.gz UPRMAPZYCHPDOZ-JOCHJYFZSA-N 1 1 411.506 1.884 20 0 HDADMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000676353770 1075529866 /nfs/dbraw/zinc/52/98/66/1075529866.db2.gz JRUKOWZDLOVBLR-HNNXBMFYSA-N 1 1 401.467 1.139 20 0 HDADMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(C)CCOc2ccccc2F)CC1 ZINC000676354818 1075530474 /nfs/dbraw/zinc/53/04/74/1075530474.db2.gz UMBMNCSLSGAVFO-UHFFFAOYSA-N 1 1 405.474 1.860 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676357509 1075531518 /nfs/dbraw/zinc/53/15/18/1075531518.db2.gz FPIPJNMYWSKRFL-DLBZAZTESA-N 1 1 412.490 1.177 20 0 HDADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 ZINC000731852310 1075534428 /nfs/dbraw/zinc/53/44/28/1075534428.db2.gz NGLFKSGBHNYTHR-LLVKDONJSA-N 1 1 416.341 1.571 20 0 HDADMO CC[C@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000676408687 1075540337 /nfs/dbraw/zinc/54/03/37/1075540337.db2.gz SMTZUJUZSJHMCD-OAHLLOKOSA-N 1 1 409.943 1.928 20 0 HDADMO CC[C@@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000676408684 1075540392 /nfs/dbraw/zinc/54/03/92/1075540392.db2.gz SMTZUJUZSJHMCD-HNNXBMFYSA-N 1 1 409.943 1.928 20 0 HDADMO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000676393190 1075541182 /nfs/dbraw/zinc/54/11/82/1075541182.db2.gz MUNNNUKMXBRALL-DOTOQJQBSA-N 1 1 410.536 1.475 20 0 HDADMO C[NH+](C)[C@@H](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)c1ccco1 ZINC000804142832 1075543914 /nfs/dbraw/zinc/54/39/14/1075543914.db2.gz KLHWQGAAUSMVEX-KXBFYZLASA-N 1 1 405.476 1.753 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000731837970 1075544796 /nfs/dbraw/zinc/54/47/96/1075544796.db2.gz QWLRGWBMTTUYEJ-UHFFFAOYSA-N 1 1 422.580 1.354 20 0 HDADMO CCCNC(=O)C[NH+]1CCC(N2C(=O)N[C@H](Cc3cccc(Cl)c3)C2=O)CC1 ZINC000804145232 1075546788 /nfs/dbraw/zinc/54/67/88/1075546788.db2.gz AYUXGXVFJQYNSK-QGZVFWFLSA-N 1 1 406.914 1.794 20 0 HDADMO CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000676426333 1075546863 /nfs/dbraw/zinc/54/68/63/1075546863.db2.gz MAZMLFIMJKLJCU-HXUWFJFHSA-N 1 1 416.570 1.182 20 0 HDADMO CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000676426333 1075546865 /nfs/dbraw/zinc/54/68/65/1075546865.db2.gz MAZMLFIMJKLJCU-HXUWFJFHSA-N 1 1 416.570 1.182 20 0 HDADMO C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000731843290 1075548198 /nfs/dbraw/zinc/54/81/98/1075548198.db2.gz OJGNQSXKKCAZQM-QFIPXVFZSA-N 1 1 415.582 1.564 20 0 HDADMO COc1ccc(C2(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CCC2)cc1 ZINC000676416996 1075548211 /nfs/dbraw/zinc/54/82/11/1075548211.db2.gz HTBZLTOSPHNNAB-GOSISDBHSA-N 1 1 415.534 1.414 20 0 HDADMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000731873381 1075549059 /nfs/dbraw/zinc/54/90/59/1075549059.db2.gz QRYJJIKNISPLBR-AWEZNQCLSA-N 1 1 416.975 1.345 20 0 HDADMO Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000731878069 1075550088 /nfs/dbraw/zinc/55/00/88/1075550088.db2.gz 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LYZQMHLYDYUIBM-AUSIDOKSSA-N 1 1 408.502 1.896 20 0 HDADMO Cc1nnc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000509097323 1073521137 /nfs/dbraw/zinc/52/11/37/1073521137.db2.gz JHXUJHGBUMGIMP-HNNXBMFYSA-N 1 1 403.508 1.699 20 0 HDADMO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673647008 1073528171 /nfs/dbraw/zinc/52/81/71/1073528171.db2.gz CMKKJDSNZLJVOI-HXUWFJFHSA-N 1 1 414.531 1.920 20 0 HDADMO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673647008 1073528179 /nfs/dbraw/zinc/52/81/79/1073528179.db2.gz CMKKJDSNZLJVOI-HXUWFJFHSA-N 1 1 414.531 1.920 20 0 HDADMO COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000429084839 1073531736 /nfs/dbraw/zinc/53/17/36/1073531736.db2.gz XMWDEPHBNVXANC-YJBOKZPZSA-N 1 1 400.483 1.161 20 0 HDADMO CN1CCN(C(=O)c2ccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000673646815 1073532459 /nfs/dbraw/zinc/53/24/59/1073532459.db2.gz LAHFVJILWCAJHP-XMMPIXPASA-N 1 1 422.529 1.650 20 0 HDADMO C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)no1 ZINC001004689891 1073537392 /nfs/dbraw/zinc/53/73/92/1073537392.db2.gz BXLATDBEODMSRE-RZRNGHBGSA-N 1 1 402.495 1.413 20 0 HDADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429088553 1073539254 /nfs/dbraw/zinc/53/92/54/1073539254.db2.gz SYZZCFCAHDDRGY-ZWKOTPCHSA-N 1 1 414.558 1.618 20 0 HDADMO CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1C ZINC000509106253 1073541934 /nfs/dbraw/zinc/54/19/34/1073541934.db2.gz CPGXMGAWRIHHRD-RDJZCZTQSA-N 1 1 404.902 1.911 20 0 HDADMO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000625188596 1073553176 /nfs/dbraw/zinc/55/31/76/1073553176.db2.gz JVTQPMBTGMQPOS-GOSISDBHSA-N 1 1 400.479 1.065 20 0 HDADMO O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000673651824 1073573298 /nfs/dbraw/zinc/57/32/98/1073573298.db2.gz UYGCIJOHWRKGRP-QGZVFWFLSA-N 1 1 404.465 1.982 20 0 HDADMO O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000673651824 1073573310 /nfs/dbraw/zinc/57/33/10/1073573310.db2.gz UYGCIJOHWRKGRP-QGZVFWFLSA-N 1 1 404.465 1.982 20 0 HDADMO O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429104102 1073589006 /nfs/dbraw/zinc/58/90/06/1073589006.db2.gz PCJKRGDIMKVZGB-HXUWFJFHSA-N 1 1 400.523 1.975 20 0 HDADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429105793 1073591242 /nfs/dbraw/zinc/59/12/42/1073591242.db2.gz VVLIBYUUVSVMGN-QUCCMNQESA-N 1 1 400.571 1.908 20 0 HDADMO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000673707348 1073646384 /nfs/dbraw/zinc/64/63/84/1073646384.db2.gz UUVNNYPIEIJUTG-BDTNDASRSA-N 1 1 416.566 1.921 20 0 HDADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000673710390 1073650168 /nfs/dbraw/zinc/65/01/68/1073650168.db2.gz YXTKVYZSDBLXNF-HKBOAZHASA-N 1 1 405.539 1.940 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000673715622 1073653642 /nfs/dbraw/zinc/65/36/42/1073653642.db2.gz HSGXVTYDDFMEEQ-GOSISDBHSA-N 1 1 402.520 1.479 20 0 HDADMO COCc1ccc(C[N@@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001108085044 1073655580 /nfs/dbraw/zinc/65/55/80/1073655580.db2.gz PXBMQUWNJAIBNG-IBYACTMASA-N 1 1 400.519 1.964 20 0 HDADMO COCc1ccc(C[N@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001108085044 1073655586 /nfs/dbraw/zinc/65/55/86/1073655586.db2.gz PXBMQUWNJAIBNG-IBYACTMASA-N 1 1 400.519 1.964 20 0 HDADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429117888 1073671782 /nfs/dbraw/zinc/67/17/82/1073671782.db2.gz WABYNNNOZMSZOH-INIZCTEOSA-N 1 1 405.543 1.792 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000673749645 1073684398 /nfs/dbraw/zinc/68/43/98/1073684398.db2.gz DWFCNCAVUUHJQZ-GOSISDBHSA-N 1 1 416.547 1.873 20 0 HDADMO CC[N@H+](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@@H]1CCOC1 ZINC000673755097 1073690197 /nfs/dbraw/zinc/69/01/97/1073690197.db2.gz RXQXOQSJUBMFES-FQEVSTJZSA-N 1 1 416.566 1.745 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757754 1073692901 /nfs/dbraw/zinc/69/29/01/1073692901.db2.gz MOJCFXBOVRKOEC-SFHVURJKSA-N 1 1 424.549 1.420 20 0 HDADMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757754 1073692903 /nfs/dbraw/zinc/69/29/03/1073692903.db2.gz MOJCFXBOVRKOEC-SFHVURJKSA-N 1 1 424.549 1.420 20 0 HDADMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757754 1073692908 /nfs/dbraw/zinc/69/29/08/1073692908.db2.gz MOJCFXBOVRKOEC-SFHVURJKSA-N 1 1 424.549 1.420 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757753 1073692945 /nfs/dbraw/zinc/69/29/45/1073692945.db2.gz MOJCFXBOVRKOEC-GOSISDBHSA-N 1 1 424.549 1.420 20 0 HDADMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757753 1073692950 /nfs/dbraw/zinc/69/29/50/1073692950.db2.gz MOJCFXBOVRKOEC-GOSISDBHSA-N 1 1 424.549 1.420 20 0 HDADMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757753 1073692955 /nfs/dbraw/zinc/69/29/55/1073692955.db2.gz MOJCFXBOVRKOEC-GOSISDBHSA-N 1 1 424.549 1.420 20 0 HDADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673750729 1073694135 /nfs/dbraw/zinc/69/41/35/1073694135.db2.gz FEBWKSBYQUBXPJ-XLIONFOSSA-N 1 1 400.523 1.237 20 0 HDADMO Cc1c(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnn1Cc1ccncc1 ZINC000509139434 1073707566 /nfs/dbraw/zinc/70/75/66/1073707566.db2.gz NUUGEUDMESVBSH-CALCHBBNSA-N 1 1 412.538 1.991 20 0 HDADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000673776166 1073732943 /nfs/dbraw/zinc/73/29/43/1073732943.db2.gz GXMPTSKPQBZANY-UHFFFAOYSA-N 1 1 414.554 1.771 20 0 HDADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000673776166 1073732950 /nfs/dbraw/zinc/73/29/50/1073732950.db2.gz GXMPTSKPQBZANY-UHFFFAOYSA-N 1 1 414.554 1.771 20 0 HDADMO CCS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000429133031 1073736528 /nfs/dbraw/zinc/73/65/28/1073736528.db2.gz GNXRFKVYOHQLRD-OAHLLOKOSA-N 1 1 414.597 1.541 20 0 HDADMO CN1CCC[C@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000673802071 1073750970 /nfs/dbraw/zinc/75/09/70/1073750970.db2.gz IKCXEKRSUAUSEO-FQEVSTJZSA-N 1 1 416.566 1.384 20 0 HDADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673816187 1073760766 /nfs/dbraw/zinc/76/07/66/1073760766.db2.gz KUXDTHLTICEHFM-LJQANCHMSA-N 1 1 408.506 1.149 20 0 HDADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429143473 1073771768 /nfs/dbraw/zinc/77/17/68/1073771768.db2.gz PTYVMCQJWICLHR-UHFFFAOYSA-N 1 1 416.975 1.522 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839855 1073804652 /nfs/dbraw/zinc/80/46/52/1073804652.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 1 1 404.530 1.313 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839900 1073805138 /nfs/dbraw/zinc/80/51/38/1073805138.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 1 1 418.557 1.703 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839898 1073805520 /nfs/dbraw/zinc/80/55/20/1073805520.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 1 1 418.557 1.703 20 0 HDADMO C[N@@H+](CCN1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1 ZINC000673835977 1073811606 /nfs/dbraw/zinc/81/16/06/1073811606.db2.gz OCZQZJJFADBUJH-NRFANRHFSA-N 1 1 408.550 1.722 20 0 HDADMO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)nc12 ZINC000673848349 1073814362 /nfs/dbraw/zinc/81/43/62/1073814362.db2.gz XIZMOCPVBWYWDC-ZDUSSCGKSA-N 1 1 408.300 1.232 20 0 HDADMO CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)Cc1ccc2c(c1)OCO2 ZINC000673855384 1073822739 /nfs/dbraw/zinc/82/27/39/1073822739.db2.gz PVLRZOAVWBUAJU-UHFFFAOYSA-N 1 1 416.478 1.219 20 0 HDADMO CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)Cc1ccc2c(c1)OCO2 ZINC000673855384 1073822751 /nfs/dbraw/zinc/82/27/51/1073822751.db2.gz PVLRZOAVWBUAJU-UHFFFAOYSA-N 1 1 416.478 1.219 20 0 HDADMO Cc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000466548074 1073851527 /nfs/dbraw/zinc/85/15/27/1073851527.db2.gz KYWCQJAGRDGIOS-UYAOXDASSA-N 1 1 404.555 1.988 20 0 HDADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CO)CC2)c1 ZINC000673889637 1073861623 /nfs/dbraw/zinc/86/16/23/1073861623.db2.gz WIOUFWIOZLTJRZ-CQSZACIVSA-N 1 1 420.485 1.466 20 0 HDADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC2(CO)CC2)c1 ZINC000673889637 1073861635 /nfs/dbraw/zinc/86/16/35/1073861635.db2.gz WIOUFWIOZLTJRZ-CQSZACIVSA-N 1 1 420.485 1.466 20 0 HDADMO CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000509163669 1073870780 /nfs/dbraw/zinc/87/07/80/1073870780.db2.gz GBYCRPVNTPTCNS-WOJBJXKFSA-N 1 1 418.538 1.166 20 0 HDADMO CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000509163669 1073870793 /nfs/dbraw/zinc/87/07/93/1073870793.db2.gz 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/nfs/dbraw/zinc/78/85/58/1074788558.db2.gz QTDDIAVHXGIKLA-KRWDZBQOSA-N 1 1 402.582 1.810 20 0 HDADMO C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000675300499 1074792129 /nfs/dbraw/zinc/79/21/29/1074792129.db2.gz AVSISUXRBUBQOZ-HKUYNNGSSA-N 1 1 418.538 1.962 20 0 HDADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304898 1074793522 /nfs/dbraw/zinc/79/35/22/1074793522.db2.gz HTKZTVGXKVUBFI-SJLPKXTDSA-N 1 1 420.941 1.942 20 0 HDADMO Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000555276481 1074796498 /nfs/dbraw/zinc/79/64/98/1074796498.db2.gz YAABQRSFOGUFGN-QGZVFWFLSA-N 1 1 407.478 1.949 20 0 HDADMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](c2ccsc2)O1 ZINC000675309202 1074796657 /nfs/dbraw/zinc/79/66/57/1074796657.db2.gz IKIJMOZHFWKHCL-BHIYHBOVSA-N 1 1 408.568 1.626 20 0 HDADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@@H+]1C ZINC000675338436 1074805963 /nfs/dbraw/zinc/80/59/63/1074805963.db2.gz WXIUYBFKRCZZQG-DLBZAZTESA-N 1 1 406.914 1.360 20 0 HDADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[N@H+]1C ZINC000675338436 1074805969 /nfs/dbraw/zinc/80/59/69/1074805969.db2.gz WXIUYBFKRCZZQG-DLBZAZTESA-N 1 1 406.914 1.360 20 0 HDADMO Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)no1 ZINC000531933948 1074812133 /nfs/dbraw/zinc/81/21/33/1074812133.db2.gz HSZBQWGFNQBSQS-MSOLQXFVSA-N 1 1 419.526 1.987 20 0 HDADMO CC(C)(C)OC(=O)NCC1(CC(=O)NC2CC[NH+](CC(N)=O)CC2)CCCCC1 ZINC000766107228 1074814284 /nfs/dbraw/zinc/81/42/84/1074814284.db2.gz OVHVRWLZWQZPPJ-UHFFFAOYSA-N 1 1 410.559 1.918 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@H]21 ZINC000766111583 1074818273 /nfs/dbraw/zinc/81/82/73/1074818273.db2.gz XTQDYRSUZNWYJL-FGTMMUONSA-N 1 1 402.495 1.100 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000766113589 1074820507 /nfs/dbraw/zinc/82/05/07/1074820507.db2.gz OYUKQDPHGBEOPD-FHWLQOOXSA-N 1 1 416.522 1.490 20 0 HDADMO C[N@H+]1CCC[C@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC[C@H]21 ZINC000766113591 1074820766 /nfs/dbraw/zinc/82/07/66/1074820766.db2.gz OYUKQDPHGBEOPD-GBESFXJTSA-N 1 1 416.522 1.490 20 0 HDADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(CO)CCC1 ZINC000429248596 1075093280 /nfs/dbraw/zinc/09/32/80/1075093280.db2.gz WSEURTIDVGYJTJ-UHFFFAOYSA-N 1 1 415.943 1.020 20 0 HDADMO COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000670510574 1075094048 /nfs/dbraw/zinc/09/40/48/1075094048.db2.gz QAVHIMZDBSOICW-LAUBAEHRSA-N 1 1 416.566 1.795 20 0 HDADMO C[C@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000429332417 1075096093 /nfs/dbraw/zinc/09/60/93/1075096093.db2.gz XBSJMHGXQULTEY-INIZCTEOSA-N 1 1 404.511 1.468 20 0 HDADMO C[C@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC[N@H+]1CCO ZINC000429332417 1075096095 /nfs/dbraw/zinc/09/60/95/1075096095.db2.gz XBSJMHGXQULTEY-INIZCTEOSA-N 1 1 404.511 1.468 20 0 HDADMO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000546104205 1075104677 /nfs/dbraw/zinc/10/46/77/1075104677.db2.gz NLFUISDFSNFXIU-MRXNPFEDSA-N 1 1 404.471 2.196 20 0 HDADMO Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)no1 ZINC000599295968 1075114319 /nfs/dbraw/zinc/11/43/19/1075114319.db2.gz CUWOZHBOAMPRGE-IBGZPJMESA-N 1 1 419.913 2.022 20 0 HDADMO CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]21 ZINC001299295612 1075124244 /nfs/dbraw/zinc/12/42/44/1075124244.db2.gz GIDLWMPDKBJOOQ-ZWKOTPCHSA-N 1 1 404.540 1.194 20 0 HDADMO CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]21 ZINC001299295612 1075124248 /nfs/dbraw/zinc/12/42/48/1075124248.db2.gz GIDLWMPDKBJOOQ-ZWKOTPCHSA-N 1 1 404.540 1.194 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)C1 ZINC000675394645 1075124947 /nfs/dbraw/zinc/12/49/47/1075124947.db2.gz KHOWTXJCFRCOKD-PKOBYXMFSA-N 1 1 413.522 1.904 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000501904971 1075126150 /nfs/dbraw/zinc/12/61/50/1075126150.db2.gz SZILUYQPKYDVDF-OWCLPIDISA-N 1 1 410.540 1.755 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000501904971 1075126155 /nfs/dbraw/zinc/12/61/55/1075126155.db2.gz SZILUYQPKYDVDF-OWCLPIDISA-N 1 1 410.540 1.755 20 0 HDADMO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000675404853 1075129581 /nfs/dbraw/zinc/12/95/81/1075129581.db2.gz VIALUVQGTIKBBP-QUCCMNQESA-N 1 1 424.549 1.669 20 0 HDADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000540744015 1075137293 /nfs/dbraw/zinc/13/72/93/1075137293.db2.gz DDJSGMGRVYXMMZ-UHFFFAOYSA-N 1 1 407.902 1.857 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000466677126 1075138042 /nfs/dbraw/zinc/13/80/42/1075138042.db2.gz CTKYUXKOLYSEDL-YJBOKZPZSA-N 1 1 421.501 1.595 20 0 HDADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000670525295 1075147158 /nfs/dbraw/zinc/14/71/58/1075147158.db2.gz VBKHYLPJIFHVHV-MSOLQXFVSA-N 1 1 411.506 1.713 20 0 HDADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000670525471 1075147532 /nfs/dbraw/zinc/14/75/32/1075147532.db2.gz VVOVASKAPZBXGN-HNNXBMFYSA-N 1 1 416.444 1.629 20 0 HDADMO CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000670526667 1075148307 /nfs/dbraw/zinc/14/83/07/1075148307.db2.gz LVBMVSSHXHCPNB-RBUKOAKNSA-N 1 1 409.571 1.848 20 0 HDADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000670527044 1075150690 /nfs/dbraw/zinc/15/06/90/1075150690.db2.gz OTYWLJPPIJGGIZ-KRWDZBQOSA-N 1 1 405.495 1.331 20 0 HDADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253656 1075151465 /nfs/dbraw/zinc/15/14/65/1075151465.db2.gz KTXBLOATNDNPEL-FXAWDEMLSA-N 1 1 407.580 1.522 20 0 HDADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253659 1075152181 /nfs/dbraw/zinc/15/21/81/1075152181.db2.gz KTXBLOATNDNPEL-YLJYHZDGSA-N 1 1 407.580 1.522 20 0 HDADMO CC1(C)c2cc(S(=O)(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2NC1=O ZINC000675457985 1075156680 /nfs/dbraw/zinc/15/66/80/1075156680.db2.gz AWMXAXWAVRJUGH-QGZVFWFLSA-N 1 1 420.535 1.019 20 0 HDADMO CC1(C)c2cc(S(=O)(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2NC1=O ZINC000675457985 1075156682 /nfs/dbraw/zinc/15/66/82/1075156682.db2.gz AWMXAXWAVRJUGH-QGZVFWFLSA-N 1 1 420.535 1.019 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)CC[C@@H]3CCCO3)c2)C1 ZINC000675461605 1075162969 /nfs/dbraw/zinc/16/29/69/1075162969.db2.gz WYYPVNGQKITFDO-OALUTQOASA-N 1 1 409.552 1.372 20 0 HDADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000540063720 1075165096 /nfs/dbraw/zinc/16/50/96/1075165096.db2.gz BESQQDXVWIASCV-UHFFFAOYSA-N 1 1 414.293 1.812 20 0 HDADMO CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675471531 1075167969 /nfs/dbraw/zinc/16/79/69/1075167969.db2.gz IMJOIABHPODWJE-HNNXBMFYSA-N 1 1 424.544 1.998 20 0 HDADMO C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675483011 1075171998 /nfs/dbraw/zinc/17/19/98/1075171998.db2.gz WZOUTWCFCWLPSM-QFBILLFUSA-N 1 1 409.552 1.495 20 0 HDADMO C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675483011 1075172002 /nfs/dbraw/zinc/17/20/02/1075172002.db2.gz WZOUTWCFCWLPSM-QFBILLFUSA-N 1 1 409.552 1.495 20 0 HDADMO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000446719580 1075175086 /nfs/dbraw/zinc/17/50/86/1075175086.db2.gz ISROOBDFSASQEC-OAHLLOKOSA-N 1 1 409.412 2.165 20 0 HDADMO O=C(C[NH2+][C@H](Cn1cccn1)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F ZINC000675497563 1075179284 /nfs/dbraw/zinc/17/92/84/1075179284.db2.gz KXCYYAPYHYNZRF-LJQANCHMSA-N 1 1 406.425 1.968 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3cccn3C)cc2)CC1 ZINC000675516810 1075182103 /nfs/dbraw/zinc/18/21/03/1075182103.db2.gz CAJCCRXQFZGGIK-UHFFFAOYSA-N 1 1 411.506 1.400 20 0 HDADMO C[C@@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1nnnc1C(C)(C)C ZINC000543632514 1075183271 /nfs/dbraw/zinc/18/32/71/1075183271.db2.gz WRXDMFULYUZTKU-HNNXBMFYSA-N 1 1 413.526 1.236 20 0 HDADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)c1 ZINC000675500487 1075185672 /nfs/dbraw/zinc/18/56/72/1075185672.db2.gz YBNIDLTZGYKCTE-QGZVFWFLSA-N 1 1 402.539 1.662 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000675531826 1075192487 /nfs/dbraw/zinc/19/24/87/1075192487.db2.gz OOHPRWPBLXKUNS-RTBURBONSA-N 1 1 413.522 1.739 20 0 HDADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000550839420 1075193062 /nfs/dbraw/zinc/19/30/62/1075193062.db2.gz ZTKPJDRFTSOEAZ-AWEZNQCLSA-N 1 1 415.460 1.819 20 0 HDADMO 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ZINC000675595215 1075232713 /nfs/dbraw/zinc/23/27/13/1075232713.db2.gz KLPGOADGSUNPEH-PMACEKPBSA-N 1 1 411.506 1.734 20 0 HDADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2ccn(C(C)C)n2)CC1 ZINC000483567644 1075232946 /nfs/dbraw/zinc/23/29/46/1075232946.db2.gz YOWJPUWUIRWCOY-UHFFFAOYSA-N 1 1 412.538 1.856 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000466691993 1075235657 /nfs/dbraw/zinc/23/56/57/1075235657.db2.gz XYEKUOXQOWPAED-YJBOKZPZSA-N 1 1 415.515 1.808 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000466691992 1075235708 /nfs/dbraw/zinc/23/57/08/1075235708.db2.gz XYEKUOXQOWPAED-QAPCUYQASA-N 1 1 415.515 1.808 20 0 HDADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000441991668 1075237626 /nfs/dbraw/zinc/23/76/26/1075237626.db2.gz ZKRXAABZZVRKLS-SJORKVTESA-N 1 1 416.913 2.004 20 0 HDADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cnc3nccn3c2)CC1 ZINC001129032339 1075241258 /nfs/dbraw/zinc/24/12/58/1075241258.db2.gz BMQJEKDOSGBKFK-UHFFFAOYSA-N 1 1 416.283 1.891 20 0 HDADMO CN(c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000675652713 1075247693 /nfs/dbraw/zinc/24/76/93/1075247693.db2.gz SRWFCSGUEHVCCC-RBUKOAKNSA-N 1 1 424.567 1.525 20 0 HDADMO CCc1c[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)c1 ZINC001005746090 1075248329 /nfs/dbraw/zinc/24/83/29/1075248329.db2.gz ZMYNEICQSACYHH-CGHHPOIWSA-N 1 1 400.523 1.942 20 0 HDADMO NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000675656346 1075250040 /nfs/dbraw/zinc/25/00/40/1075250040.db2.gz UMNNHWSTUUTURG-PMACEKPBSA-N 1 1 414.550 1.859 20 0 HDADMO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000509359868 1075250350 /nfs/dbraw/zinc/25/03/50/1075250350.db2.gz TWBUTHVNGHXTEW-LJQANCHMSA-N 1 1 407.534 1.624 20 0 HDADMO CO[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000675685428 1075254315 /nfs/dbraw/zinc/25/43/15/1075254315.db2.gz WFIVBPPSDZSEEH-RTBURBONSA-N 1 1 423.941 1.857 20 0 HDADMO CN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470676607 1075256057 /nfs/dbraw/zinc/25/60/57/1075256057.db2.gz DSRHJCCWXMHRBL-IBGZPJMESA-N 1 1 416.547 1.873 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000675705785 1075258588 /nfs/dbraw/zinc/25/85/88/1075258588.db2.gz WAKUIHIRACKLOS-AWEZNQCLSA-N 1 1 424.448 1.325 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000675706651 1075258678 /nfs/dbraw/zinc/25/86/78/1075258678.db2.gz YJPJPZHMTKLMTR-MRXNPFEDSA-N 1 1 408.449 1.707 20 0 HDADMO CS(=O)(=O)NC1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000675709333 1075259311 /nfs/dbraw/zinc/25/93/11/1075259311.db2.gz ADVIOIDRCSYLKG-IAGOWNOFSA-N 1 1 416.588 1.181 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@H+]1Cc1ccccc1 ZINC000466695360 1075261918 /nfs/dbraw/zinc/26/19/18/1075261918.db2.gz ITGGJMAEPMMKRI-ZFWWWQNUSA-N 1 1 400.504 1.934 20 0 HDADMO C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000509367665 1075269114 /nfs/dbraw/zinc/26/91/14/1075269114.db2.gz YTTUWSMEVRUCQZ-MRXNPFEDSA-N 1 1 400.523 1.637 20 0 HDADMO O=C(CSc1nccc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675799852 1075272900 /nfs/dbraw/zinc/27/29/00/1075272900.db2.gz OYHBHWKIKAMPJF-GOSISDBHSA-N 1 1 400.548 1.850 20 0 HDADMO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429380784 1075274110 /nfs/dbraw/zinc/27/41/10/1075274110.db2.gz VGNZKEWUKHMNRE-GJZGRUSLSA-N 1 1 424.567 1.630 20 0 HDADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC4(CCC4)[C@H]3C3CC3)n2)c1C ZINC000577685913 1075277960 /nfs/dbraw/zinc/27/79/60/1075277960.db2.gz LNSMMCLJEKJUEZ-GOSISDBHSA-N 1 1 424.505 2.076 20 0 HDADMO CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC001129073494 1075278320 /nfs/dbraw/zinc/27/83/20/1075278320.db2.gz GSFXNVAQWXJTLT-RLLQIKCJSA-N 1 1 419.547 1.595 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@H+]1Cc1ccccc1 ZINC000466698422 1075279367 /nfs/dbraw/zinc/27/93/67/1075279367.db2.gz XLPBVSNCJYDOHF-LPHOPBHVSA-N 1 1 404.474 1.985 20 0 HDADMO O=S(=O)(NCCNc1cc[nH+]c(N2CCCCC2)n1)c1ccc(Cl)s1 ZINC000546052317 1075280390 /nfs/dbraw/zinc/28/03/90/1075280390.db2.gz LYOXKKDAWBYXJV-UHFFFAOYSA-N 1 1 401.945 2.572 20 0 HDADMO CN(CC(=O)N1CCCC1)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000675842802 1075281517 /nfs/dbraw/zinc/28/15/17/1075281517.db2.gz BVMDEFMFJGQSCI-UHFFFAOYSA-N 1 1 407.946 1.726 20 0 HDADMO O=S(=O)(c1cccs1)N1CC[C@@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000584130769 1075286230 /nfs/dbraw/zinc/28/62/30/1075286230.db2.gz OICUVSLOOFITAW-GJZGRUSLSA-N 1 1 423.564 2.252 20 0 HDADMO O=S(=O)(c1cccs1)N1CC[C@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000584130770 1075286617 /nfs/dbraw/zinc/28/66/17/1075286617.db2.gz OICUVSLOOFITAW-HUUCEWRRSA-N 1 1 423.564 2.252 20 0 HDADMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885462 1075289139 /nfs/dbraw/zinc/28/91/39/1075289139.db2.gz BDKADIQWHHMCGU-QFBILLFUSA-N 1 1 402.518 1.772 20 0 HDADMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885462 1075289143 /nfs/dbraw/zinc/28/91/43/1075289143.db2.gz BDKADIQWHHMCGU-QFBILLFUSA-N 1 1 402.518 1.772 20 0 HDADMO CCS(=O)(=O)N1CCC(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000731301685 1075302740 /nfs/dbraw/zinc/30/27/40/1075302740.db2.gz ZFZIQZBFMXGOHZ-KRWDZBQOSA-N 1 1 410.540 1.667 20 0 HDADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000675942190 1075302806 /nfs/dbraw/zinc/30/28/06/1075302806.db2.gz LAIJTIBJQIKIJO-HNNXBMFYSA-N 1 1 415.943 1.666 20 0 HDADMO Cc1ccc(NCCCNC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)[nH+]c1 ZINC000437713429 1075302923 /nfs/dbraw/zinc/30/29/23/1075302923.db2.gz ABROFTQNVZQMBP-RTWAWAEBSA-N 1 1 409.534 2.487 20 0 HDADMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000675943964 1075303176 /nfs/dbraw/zinc/30/31/76/1075303176.db2.gz MHBRODFVKYFGQE-OAHLLOKOSA-N 1 1 417.535 1.364 20 0 HDADMO Cc1ccc(NCCCNC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)[nH+]c1 ZINC000471583990 1075303950 /nfs/dbraw/zinc/30/39/50/1075303950.db2.gz CWPKWKSTGFAYBP-ROUUACIJSA-N 1 1 403.506 1.837 20 0 HDADMO Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[nH+]c1 ZINC000547789451 1075304242 /nfs/dbraw/zinc/30/42/42/1075304242.db2.gz QVCLYFGNKZPYPB-INIZCTEOSA-N 1 1 419.551 2.503 20 0 HDADMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)[C@H]1C(C)C ZINC000429386155 1075306344 /nfs/dbraw/zinc/30/63/44/1075306344.db2.gz WMUSRTRXKSMTDA-ZWOKBUDYSA-N 1 1 403.523 1.949 20 0 HDADMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000675952726 1075313533 /nfs/dbraw/zinc/31/35/33/1075313533.db2.gz IOALPYPFPZYONN-MRXNPFEDSA-N 1 1 413.360 1.808 20 0 HDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccc(N4CCOC4=O)c3)CC2)CC1 ZINC000731351065 1075313962 /nfs/dbraw/zinc/31/39/62/1075313962.db2.gz KCKMCTUHOHVQBA-UHFFFAOYSA-N 1 1 414.506 1.660 20 0 HDADMO CCOC(=O)N1CCC(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000731351655 1075315350 /nfs/dbraw/zinc/31/53/50/1075315350.db2.gz SOMJZTTVURBKGG-UHFFFAOYSA-N 1 1 408.543 1.258 20 0 HDADMO COC(=O)Nc1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000731352508 1075316586 /nfs/dbraw/zinc/31/65/86/1075316586.db2.gz MJKNOLCDOLRTLT-UHFFFAOYSA-N 1 1 402.495 1.881 20 0 HDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000676000723 1075321427 /nfs/dbraw/zinc/32/14/27/1075321427.db2.gz FNJAAKQBFRPKLO-AWEZNQCLSA-N 1 1 402.392 1.691 20 0 HDADMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429388431 1075325097 /nfs/dbraw/zinc/32/50/97/1075325097.db2.gz RLKIWAFBLRJSCL-ZWKOTPCHSA-N 1 1 402.539 1.759 20 0 HDADMO Cc1nccc(N2CC[NH+](CCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)n1 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O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029072795 1075691637 /nfs/dbraw/zinc/69/16/37/1075691637.db2.gz HBEMSYOXLQVLBP-UHFFFAOYSA-N 1 1 406.486 1.935 20 0 HDADMO C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCCC1 ZINC000029166927 1075692435 /nfs/dbraw/zinc/69/24/35/1075692435.db2.gz MBQUHEKVSCOKNF-UHFFFAOYSA-N 1 1 423.579 1.978 20 0 HDADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H](C)O1 ZINC000531575424 1075699753 /nfs/dbraw/zinc/69/97/53/1075699753.db2.gz NKBFFFYIEYQILP-CALCHBBNSA-N 1 1 413.522 1.874 20 0 HDADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H](C)O1 ZINC000531575424 1075699754 /nfs/dbraw/zinc/69/97/54/1075699754.db2.gz NKBFFFYIEYQILP-CALCHBBNSA-N 1 1 413.522 1.874 20 0 HDADMO COc1cc2[nH+]c(NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)nc(N)c2cc1OC ZINC000521080463 1075702657 /nfs/dbraw/zinc/70/26/57/1075702657.db2.gz UWJPKQXTTLDUCO-NRFANRHFSA-N 1 1 422.445 1.318 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000509438718 1075716491 /nfs/dbraw/zinc/71/64/91/1075716491.db2.gz NPLUEECESUODII-ZWKOTPCHSA-N 1 1 402.539 1.339 20 0 HDADMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426155104 1075717965 /nfs/dbraw/zinc/71/79/65/1075717965.db2.gz VTDNGNJYPHOXOQ-VXGBXAGGSA-N 1 1 409.416 1.681 20 0 HDADMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426155104 1075717972 /nfs/dbraw/zinc/71/79/72/1075717972.db2.gz VTDNGNJYPHOXOQ-VXGBXAGGSA-N 1 1 409.416 1.681 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000509441356 1075722611 /nfs/dbraw/zinc/72/26/11/1075722611.db2.gz VSYZPDMKOJJZAQ-ROUUACIJSA-N 1 1 412.538 1.266 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCc1nccs1 ZINC000509441047 1075723708 /nfs/dbraw/zinc/72/37/08/1075723708.db2.gz ULJXJSLTVAHWMS-KRWDZBQOSA-N 1 1 415.563 1.471 20 0 HDADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490373574 1075723734 /nfs/dbraw/zinc/72/37/34/1075723734.db2.gz OBWJFHBACPZDKN-UHFFFAOYSA-N 1 1 418.929 1.606 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC1CCOCC1 ZINC000509442088 1075727720 /nfs/dbraw/zinc/72/77/20/1075727720.db2.gz MUDFZYXGQYUMOJ-IBGZPJMESA-N 1 1 416.566 1.588 20 0 HDADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCCNc3ccc(C)c[nH+]3)ccc21 ZINC000531250366 1075727984 /nfs/dbraw/zinc/72/79/84/1075727984.db2.gz RPMSRQRNMMXWSM-UHFFFAOYSA-N 1 1 409.490 1.647 20 0 HDADMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1 ZINC000509258845 1075729070 /nfs/dbraw/zinc/72/90/70/1075729070.db2.gz POHXPVIOYXIMJD-BZUAXINKSA-N 1 1 412.581 1.494 20 0 HDADMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000429474640 1075735407 /nfs/dbraw/zinc/73/54/07/1075735407.db2.gz XKNTVGNKAUOIBU-SJLPKXTDSA-N 1 1 416.522 1.070 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(CCCO)CC1 ZINC000509442532 1075737179 /nfs/dbraw/zinc/73/71/79/1075737179.db2.gz QIUOKSKKJSZOIL-IBGZPJMESA-N 1 1 416.566 1.324 20 0 HDADMO O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(Cc2cccs2)CC1 ZINC000732412021 1075738115 /nfs/dbraw/zinc/73/81/15/1075738115.db2.gz AYVULHUJYZAHNT-SFHVURJKSA-N 1 1 404.580 1.869 20 0 HDADMO NC(=O)CCN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccc(F)cc1 ZINC000732413164 1075738748 /nfs/dbraw/zinc/73/87/48/1075738748.db2.gz PNEKEUOBPUTLMI-GOSISDBHSA-N 1 1 404.486 1.511 20 0 HDADMO NC(=O)CCN(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccc(F)cc1 ZINC000732413164 1075738753 /nfs/dbraw/zinc/73/87/53/1075738753.db2.gz PNEKEUOBPUTLMI-GOSISDBHSA-N 1 1 404.486 1.511 20 0 HDADMO CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000509443211 1075739114 /nfs/dbraw/zinc/73/91/14/1075739114.db2.gz YFLXZNZVZZYUGD-QUCCMNQESA-N 1 1 402.539 1.341 20 0 HDADMO COCCC1(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000509443287 1075739526 /nfs/dbraw/zinc/73/95/26/1075739526.db2.gz 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C[NH+]1CCN([C@H](C(=O)NCCN2CCc3ccccc3C2=O)c2ccccc2)CC1 ZINC000466640214 1075748644 /nfs/dbraw/zinc/74/86/44/1075748644.db2.gz LAQWPMNZWPSMMA-QFIPXVFZSA-N 1 1 406.530 1.790 20 0 HDADMO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429268793 1075754015 /nfs/dbraw/zinc/75/40/15/1075754015.db2.gz DGALUMBTNOXCFS-NHCUHLMSSA-N 1 1 411.502 1.963 20 0 HDADMO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429268793 1075754019 /nfs/dbraw/zinc/75/40/19/1075754019.db2.gz DGALUMBTNOXCFS-NHCUHLMSSA-N 1 1 411.502 1.963 20 0 HDADMO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000521417087 1075762724 /nfs/dbraw/zinc/76/27/24/1075762724.db2.gz UBCHOZABSHGBPU-AWEZNQCLSA-N 1 1 407.522 1.819 20 0 HDADMO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C3)CC[N@H+]1C ZINC001005839811 1075762881 /nfs/dbraw/zinc/76/28/81/1075762881.db2.gz MFZCAONVGCZXBE-HHARLNAUSA-N 1 1 401.555 1.920 20 0 HDADMO Ic1ccc2ncnc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2c1 ZINC000462827079 1075767741 /nfs/dbraw/zinc/76/77/41/1075767741.db2.gz NYTJQFDSCCHOTO-CYBMUJFWSA-N 1 1 410.259 2.510 20 0 HDADMO Ic1ccc2ncnc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2c1 ZINC000462827079 1075767745 /nfs/dbraw/zinc/76/77/45/1075767745.db2.gz NYTJQFDSCCHOTO-CYBMUJFWSA-N 1 1 410.259 2.510 20 0 HDADMO Nc1nsc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000472307321 1075768189 /nfs/dbraw/zinc/76/81/89/1075768189.db2.gz YHXCEAUIVLXYTM-INIZCTEOSA-N 1 1 401.540 1.474 20 0 HDADMO CN1CC[NH+](Cc2ccc(NC(=O)COCCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000732552228 1075783980 /nfs/dbraw/zinc/78/39/80/1075783980.db2.gz MTZONGZHEHNGFQ-UHFFFAOYSA-N 1 1 406.527 1.914 20 0 HDADMO CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732558566 1075786039 /nfs/dbraw/zinc/78/60/39/1075786039.db2.gz BRQMOSSTDGVUPO-AQDCRGGLSA-N 1 1 420.579 1.698 20 0 HDADMO CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732558566 1075786043 /nfs/dbraw/zinc/78/60/43/1075786043.db2.gz BRQMOSSTDGVUPO-AQDCRGGLSA-N 1 1 420.579 1.698 20 0 HDADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000645303294 1075789530 /nfs/dbraw/zinc/78/95/30/1075789530.db2.gz MZRCUBCGXFAIJM-CYBMUJFWSA-N 1 1 406.284 1.784 20 0 HDADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732565384 1075789693 /nfs/dbraw/zinc/78/96/93/1075789693.db2.gz XYFHFYRHOVGCFO-DVNWRSDPSA-N 1 1 408.612 1.871 20 0 HDADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732565384 1075789698 /nfs/dbraw/zinc/78/96/98/1075789698.db2.gz XYFHFYRHOVGCFO-DVNWRSDPSA-N 1 1 408.612 1.871 20 0 HDADMO CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732565110 1075789812 /nfs/dbraw/zinc/78/98/12/1075789812.db2.gz VRSHRKBHGPXWKI-MAUKXSAKSA-N 1 1 417.476 1.187 20 0 HDADMO CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732565110 1075789817 /nfs/dbraw/zinc/78/98/17/1075789817.db2.gz VRSHRKBHGPXWKI-MAUKXSAKSA-N 1 1 417.476 1.187 20 0 HDADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434075969 1075789805 /nfs/dbraw/zinc/78/98/05/1075789805.db2.gz DYMAJCJVPOUAJD-MRXNPFEDSA-N 1 1 401.442 2.251 20 0 HDADMO CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732564526 1075789960 /nfs/dbraw/zinc/78/99/60/1075789960.db2.gz QASLIMGXFZRIOA-HNNXBMFYSA-N 1 1 400.445 1.494 20 0 HDADMO CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732564526 1075789963 /nfs/dbraw/zinc/78/99/63/1075789963.db2.gz QASLIMGXFZRIOA-HNNXBMFYSA-N 1 1 400.445 1.494 20 0 HDADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000527080103 1075790372 /nfs/dbraw/zinc/79/03/72/1075790372.db2.gz RPYYUXREYLJEIC-GFCCVEGCSA-N 1 1 410.400 1.683 20 0 HDADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000448507139 1075790800 /nfs/dbraw/zinc/79/08/00/1075790800.db2.gz 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720217663 /nfs/dbraw/zinc/21/76/63/720217663.db2.gz BJDWXEALXLIOMG-UHFFFAOYSA-N 1 1 414.510 1.769 20 0 HDADMO COC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(F)c1 ZINC001164812827 720218877 /nfs/dbraw/zinc/21/88/77/720218877.db2.gz JLAHLZAXUSTHDE-UHFFFAOYSA-N 1 1 403.458 1.815 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1 ZINC001164719728 720223304 /nfs/dbraw/zinc/22/33/04/720223304.db2.gz SSBYMJHRWFPODB-LJQANCHMSA-N 1 1 404.902 1.343 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1 ZINC001164719728 720223309 /nfs/dbraw/zinc/22/33/09/720223309.db2.gz SSBYMJHRWFPODB-LJQANCHMSA-N 1 1 404.902 1.343 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164716083 720223355 /nfs/dbraw/zinc/22/33/55/720223355.db2.gz AKODOHFUQGJLJL-HXUWFJFHSA-N 1 1 403.914 1.948 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164716083 720223366 /nfs/dbraw/zinc/22/33/66/720223366.db2.gz AKODOHFUQGJLJL-HXUWFJFHSA-N 1 1 403.914 1.948 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncsc43)C2)C1 ZINC001164717566 720253371 /nfs/dbraw/zinc/25/33/71/720253371.db2.gz BFICQHHFVOPDDO-KRWDZBQOSA-N 1 1 410.931 1.405 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncsc43)C2)C1 ZINC001164717566 720253380 /nfs/dbraw/zinc/25/33/80/720253380.db2.gz BFICQHHFVOPDDO-KRWDZBQOSA-N 1 1 410.931 1.405 20 0 HDADMO CCc1c(Cl)nnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1CC ZINC001164720502 720254145 /nfs/dbraw/zinc/25/41/45/720254145.db2.gz XOPQYINWSSZZFD-HXUWFJFHSA-N 1 1 409.962 1.920 20 0 HDADMO CCc1c(Cl)nnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1CC ZINC001164720502 720254147 /nfs/dbraw/zinc/25/41/47/720254147.db2.gz XOPQYINWSSZZFD-HXUWFJFHSA-N 1 1 409.962 1.920 20 0 HDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC001164720037 720258709 /nfs/dbraw/zinc/25/87/09/720258709.db2.gz QQPPEAGMXBXCAX-JOCHJYFZSA-N 1 1 408.506 1.776 20 0 HDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC001164720037 720258715 /nfs/dbraw/zinc/25/87/15/720258715.db2.gz QQPPEAGMXBXCAX-JOCHJYFZSA-N 1 1 408.506 1.776 20 0 HDADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]cnc32)CC1 ZINC001164818880 720290765 /nfs/dbraw/zinc/29/07/65/720290765.db2.gz BHGYNFFUZYBPHW-KBPBESRZSA-N 1 1 403.918 1.918 20 0 HDADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2n[nH]c(Cl)c3ncnc2-3)CC1 ZINC001164823332 720326379 /nfs/dbraw/zinc/32/63/79/720326379.db2.gz AOWYVOAGAPRLIA-ZIAGYGMSSA-N 1 1 403.918 1.918 20 0 HDADMO Cn1ccc2c1nc[nH+]c2N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001164823491 720437610 /nfs/dbraw/zinc/43/76/10/720437610.db2.gz KOGGLXCZSPABHK-MRXNPFEDSA-N 1 1 411.510 1.154 20 0 HDADMO Cc1cc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)C(=O)NC2=O ZINC001164842776 720596271 /nfs/dbraw/zinc/59/62/71/720596271.db2.gz VMJRHTJPUYQWGT-LZLYRXPVSA-N 1 1 408.506 1.848 20 0 HDADMO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737600 720705349 /nfs/dbraw/zinc/70/53/49/720705349.db2.gz GNDVMCGPMIGJMX-HUUCEWRRSA-N 1 1 418.885 1.500 20 0 HDADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1C ZINC001164738662 720750910 /nfs/dbraw/zinc/75/09/10/720750910.db2.gz GNNOZUQNSLZFLM-QWHCGFSZSA-N 1 1 400.874 1.457 20 0 HDADMO Clc1nc2nc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750079 720811002 /nfs/dbraw/zinc/81/10/02/720811002.db2.gz VCLWEKQXYVENHY-SOUVJXGZSA-N 1 1 413.917 1.977 20 0 HDADMO CCOC(=O)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744501 720826655 /nfs/dbraw/zinc/82/66/55/720826655.db2.gz URUSGJGQUSKCLO-ZIFCJYIRSA-N 1 1 411.510 1.624 20 0 HDADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743133 720836665 /nfs/dbraw/zinc/83/66/65/720836665.db2.gz IWFQHSDTOFVLMD-XUVXKRRUSA-N 1 1 424.553 1.284 20 0 HDADMO CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741925 720836997 /nfs/dbraw/zinc/83/69/97/720836997.db2.gz FWXVDMKXFZJIHZ-WSTZPKSXSA-N 1 1 409.538 1.802 20 0 HDADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c(OC)cc43)CC[C@@H]2C1 ZINC001164853244 720841805 /nfs/dbraw/zinc/84/18/05/720841805.db2.gz NMNQUNSQEYWIBJ-QRWLVFNGSA-N 1 1 402.495 1.821 20 0 HDADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164851598 720854269 /nfs/dbraw/zinc/85/42/69/720854269.db2.gz BFHZSGKIPWMSEV-HKUYNNGSSA-N 1 1 414.506 1.980 20 0 HDADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c2c1 ZINC001164856838 720855429 /nfs/dbraw/zinc/85/54/29/720855429.db2.gz POCVGBRXIDGTOI-YLJYHZDGSA-N 1 1 414.506 1.980 20 0 HDADMO CCOC(=O)c1cnc2cc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH]cc1-2 ZINC001164854894 720871667 /nfs/dbraw/zinc/87/16/67/720871667.db2.gz GGBAHTHHCHWQIA-HNAYVOBHSA-N 1 1 402.495 1.913 20 0 HDADMO CCOC(=O)c1cnc2cc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH]cc1-2 ZINC001164854894 720871669 /nfs/dbraw/zinc/87/16/69/720871669.db2.gz GGBAHTHHCHWQIA-HNAYVOBHSA-N 1 1 402.495 1.913 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@@H]2C1 ZINC001164860601 720875757 /nfs/dbraw/zinc/87/57/57/720875757.db2.gz OYOBNWYXYQIVDM-IEBWSBKVSA-N 1 1 424.567 1.040 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@H]2C1 ZINC001164855209 720882864 /nfs/dbraw/zinc/88/28/64/720882864.db2.gz GKYFPTLEIOOVFG-QFBILLFUSA-N 1 1 403.527 1.323 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760378 721032130 /nfs/dbraw/zinc/03/21/30/721032130.db2.gz CPGORFJPUGIFQP-NFBKMPQASA-N 1 1 424.549 1.968 20 0 HDADMO NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164866122 721077352 /nfs/dbraw/zinc/07/73/52/721077352.db2.gz RGOKDCQYDQYYRS-CABCVRRESA-N 1 1 423.926 1.257 20 0 HDADMO CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761583 721095843 /nfs/dbraw/zinc/09/58/43/721095843.db2.gz CAIJFWBBHWZHJG-LSDHHAIUSA-N 1 1 404.902 1.999 20 0 HDADMO COC(=O)c1c[nH]c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866639 721105998 /nfs/dbraw/zinc/10/59/98/721105998.db2.gz UKCAYCILNJCUGG-HOTGVXAUSA-N 1 1 408.462 1.619 20 0 HDADMO CCNS(=O)(=O)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863539 721108405 /nfs/dbraw/zinc/10/84/05/721108405.db2.gz CTGZJZCKZXVSKK-QZTJIDSGSA-N 1 1 417.535 1.255 20 0 HDADMO CN1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867650 721110533 /nfs/dbraw/zinc/11/05/33/721110533.db2.gz ZGCMEKHRJZFRGY-LEWJYISDSA-N 1 1 408.550 1.708 20 0 HDADMO CN1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867650 721110540 /nfs/dbraw/zinc/11/05/40/721110540.db2.gz ZGCMEKHRJZFRGY-LEWJYISDSA-N 1 1 408.550 1.708 20 0 HDADMO COC(OC)c1c(CO)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865931 721121175 /nfs/dbraw/zinc/12/11/75/721121175.db2.gz QAABBVWNWWAEEP-OALUTQOASA-N 1 1 414.506 1.740 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@H]3C2)cn1 ZINC001164764220 721138800 /nfs/dbraw/zinc/13/88/00/721138800.db2.gz HLFRDQMUBGRBQZ-DLBZAZTESA-N 1 1 417.945 1.658 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@@H]3C2)cn1 ZINC001164764306 721165333 /nfs/dbraw/zinc/16/53/33/721165333.db2.gz GZZSIYOBHSYUJQ-OALUTQOASA-N 1 1 408.506 1.422 20 0 HDADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767609 721180578 /nfs/dbraw/zinc/18/05/78/721180578.db2.gz KEOHYEMPSRRQQC-IAGOWNOFSA-N 1 1 423.521 1.837 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(Cl)c5c4N(C)CCO5)C[C@H]3C2)cn1 ZINC001164772328 721183969 /nfs/dbraw/zinc/18/39/69/721183969.db2.gz SEAQOOZEUDVRGG-HUUCEWRRSA-N 1 1 403.918 1.650 20 0 HDADMO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164764062 721197102 /nfs/dbraw/zinc/19/71/02/721197102.db2.gz GCXAWGJJEYMPLE-ZWKOTPCHSA-N 1 1 418.567 1.460 20 0 HDADMO CCNS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164771512 721197585 /nfs/dbraw/zinc/19/75/85/721197585.db2.gz QTEIFEGWGVKETG-IRXDYDNUSA-N 1 1 404.540 1.072 20 0 HDADMO CCNC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164760690 721247747 /nfs/dbraw/zinc/24/77/47/721247747.db2.gz FXXRFMXQUYNIIJ-CABCVRRESA-N 1 1 403.918 1.572 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(N4CCCC4)n3)CC2)C1 ZINC001164875842 721260541 /nfs/dbraw/zinc/26/05/41/721260541.db2.gz MLCIKNRNMPMHEX-UHFFFAOYSA-N 1 1 402.543 1.084 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c[nH]c4ncnc(Cl)c34)CC2)C1 ZINC001164869865 721264111 /nfs/dbraw/zinc/26/41/11/721264111.db2.gz RAFSBASICKNOID-UHFFFAOYSA-N 1 1 406.918 1.570 20 0 HDADMO COc1cccc2c1ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868565 721266700 /nfs/dbraw/zinc/26/67/00/721266700.db2.gz CHUKERRTHCNUNA-UHFFFAOYSA-N 1 1 413.522 1.645 20 0 HDADMO CCOc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164869350 721268259 /nfs/dbraw/zinc/26/82/59/721268259.db2.gz LDFZHRTUYZOJLX-UHFFFAOYSA-N 1 1 411.934 1.536 20 0 HDADMO CCOc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872462 721276146 /nfs/dbraw/zinc/27/61/46/721276146.db2.gz DNKOLZAAWQWLLK-UHFFFAOYSA-N 1 1 411.934 1.536 20 0 HDADMO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164873427 721277089 /nfs/dbraw/zinc/27/70/89/721277089.db2.gz MNHWCYZJDLBYHZ-UHFFFAOYSA-N 1 1 419.574 1.068 20 0 HDADMO CC(C)Sc1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nn1 ZINC001164876638 721288020 /nfs/dbraw/zinc/28/80/20/721288020.db2.gz KQKHSHWGSDIREL-UHFFFAOYSA-N 1 1 407.584 1.984 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)n2)CC1 ZINC001164881920 721314681 /nfs/dbraw/zinc/31/46/81/721314681.db2.gz YABYYLRIMHRPEJ-GBESFXJTSA-N 1 1 410.522 1.686 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4C(N)=O)C3)O2)CC1 ZINC001164889195 721386843 /nfs/dbraw/zinc/38/68/43/721386843.db2.gz KTSCFRHTCQDGNG-QRWLVFNGSA-N 1 1 407.946 1.599 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4C(N)=O)C3)O2)CC1 ZINC001164889197 721387152 /nfs/dbraw/zinc/38/71/52/721387152.db2.gz KTSCFRHTCQDGNG-YWZLYKJASA-N 1 1 407.946 1.599 20 0 HDADMO COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1OC ZINC001164884379 721388436 /nfs/dbraw/zinc/38/84/36/721388436.db2.gz AMWUTOJWSQULQO-JTSKRJEESA-N 1 1 418.538 1.642 20 0 HDADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncn1 ZINC001164892285 721399218 /nfs/dbraw/zinc/39/92/18/721399218.db2.gz SSTGQILFTZJCMG-DYESRHJHSA-N 1 1 403.527 1.419 20 0 HDADMO CN(C)C(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164892946 721403333 /nfs/dbraw/zinc/40/33/33/721403333.db2.gz ZGYOGZBVTQXBQU-SIKLNZKXSA-N 1 1 401.555 1.549 20 0 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C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5ncnc(Cl)c5n4)C3)O2)CC1 ZINC001164884672 721423986 /nfs/dbraw/zinc/42/39/86/721423986.db2.gz FHAXVFFOAWVXAP-MGPUTAFESA-N 1 1 417.945 1.839 20 0 HDADMO Cc1cn(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)cn1 ZINC001164883728 721424265 /nfs/dbraw/zinc/42/42/65/721424265.db2.gz BXBLULRDWWZXAH-UGKGYDQZSA-N 1 1 411.554 1.736 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1 ZINC001164896781 721429136 /nfs/dbraw/zinc/42/91/36/721429136.db2.gz RZUWPWJWVWSIDD-FXAWDEMLSA-N 1 1 408.568 1.251 20 0 HDADMO CCCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164899897 721434329 /nfs/dbraw/zinc/43/43/29/721434329.db2.gz ZMRPPANLXXJBTJ-XXBNENTESA-N 1 1 415.582 1.987 20 0 HDADMO COC(=O)c1ncnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164890340 721452426 /nfs/dbraw/zinc/45/24/26/721452426.db2.gz QXTSDGFVBVRGFL-KKSFZXQISA-N 1 1 419.526 1.037 20 0 HDADMO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890988 721453429 /nfs/dbraw/zinc/45/34/29/721453429.db2.gz TXJTYCRSCOIXEQ-UGKGYDQZSA-N 1 1 400.571 1.237 20 0 HDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CNC3)CC2 ZINC001164789404 721455666 /nfs/dbraw/zinc/45/56/66/721455666.db2.gz VJMPLADTPRUZNN-GOSISDBHSA-N 1 1 401.555 1.814 20 0 HDADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)n2)CC1 ZINC001164793393 721487957 /nfs/dbraw/zinc/48/79/57/721487957.db2.gz RNTOXMOSHFIJHC-IERDGZPVSA-N 1 1 414.485 1.294 20 0 HDADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164806629 721536387 /nfs/dbraw/zinc/53/63/87/721536387.db2.gz PJPCWZWIAOUFLZ-JQVVWYNYSA-N 1 1 409.538 1.149 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164804507 721545735 /nfs/dbraw/zinc/54/57/35/721545735.db2.gz KBHIKVQXCJVQQK-JJRVBVJISA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164804507 721545738 /nfs/dbraw/zinc/54/57/38/721545738.db2.gz KBHIKVQXCJVQQK-JJRVBVJISA-N 1 1 402.886 1.492 20 0 HDADMO CN(C)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2nc[nH]c21 ZINC001164801732 721562776 /nfs/dbraw/zinc/56/27/76/721562776.db2.gz HDXXKKHDWZBFQC-BQFCYCMXSA-N 1 1 408.510 1.682 20 0 HDADMO CN(C)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2nc[nH]c21 ZINC001164801732 721562777 /nfs/dbraw/zinc/56/27/77/721562777.db2.gz HDXXKKHDWZBFQC-BQFCYCMXSA-N 1 1 408.510 1.682 20 0 HDADMO CNC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904749 721566324 /nfs/dbraw/zinc/56/63/24/721566324.db2.gz FNPYLYFUHGJTOW-DZGCQCFKSA-N 1 1 405.861 1.971 20 0 HDADMO CNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806184 721576822 /nfs/dbraw/zinc/57/68/22/721576822.db2.gz PGFGBCFAFBXMHJ-CMKODMSKSA-N 1 1 417.535 1.253 20 0 HDADMO 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ZINC001164927001 721872042 /nfs/dbraw/zinc/87/20/42/721872042.db2.gz UGACTFVMFRFOPB-QZTJIDSGSA-N 1 1 402.543 1.081 20 0 HDADMO COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)CC1 ZINC001164927001 721872044 /nfs/dbraw/zinc/87/20/44/721872044.db2.gz UGACTFVMFRFOPB-QZTJIDSGSA-N 1 1 402.543 1.081 20 0 HDADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1 ZINC001164934619 721881363 /nfs/dbraw/zinc/88/13/63/721881363.db2.gz SRONATZSJVKMHI-RBUKOAKNSA-N 1 1 409.600 1.621 20 0 HDADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1 ZINC001164934619 721881364 /nfs/dbraw/zinc/88/13/64/721881364.db2.gz SRONATZSJVKMHI-RBUKOAKNSA-N 1 1 409.600 1.621 20 0 HDADMO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1C(=O)OCC ZINC001164933637 721889931 /nfs/dbraw/zinc/88/99/31/721889931.db2.gz NNDQOACYKWNSLN-ZWKOTPCHSA-N 1 1 404.511 1.650 20 0 HDADMO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1C(=O)OCC ZINC001164933637 721889934 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C[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676304884 1075502713 /nfs/dbraw/zinc/50/27/13/1075502713.db2.gz NDSPJKCHPFMWLZ-RDTXWAMCSA-N 1 1 407.490 1.840 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676305281 1075503139 /nfs/dbraw/zinc/50/31/39/1075503139.db2.gz HCKPDMVZGGFBBJ-BJJXKVORSA-N 1 1 405.417 1.463 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676305281 1075503143 /nfs/dbraw/zinc/50/31/43/1075503143.db2.gz HCKPDMVZGGFBBJ-BJJXKVORSA-N 1 1 405.417 1.463 20 0 HDADMO Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1F ZINC000676305526 1075503498 /nfs/dbraw/zinc/50/34/98/1075503498.db2.gz PVZITBXPSBZRKQ-UZLBHIALSA-N 1 1 420.529 1.891 20 0 HDADMO Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1F ZINC000676305526 1075503500 /nfs/dbraw/zinc/50/35/00/1075503500.db2.gz PVZITBXPSBZRKQ-UZLBHIALSA-N 1 1 420.529 1.891 20 0 HDADMO Cc1n[nH]cc1-c1nnc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000548739147 1075503709 /nfs/dbraw/zinc/50/37/09/1075503709.db2.gz MQJFENKYWVPFSU-UHFFFAOYSA-N 1 1 412.523 2.180 20 0 HDADMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676317035 1075506078 /nfs/dbraw/zinc/50/60/78/1075506078.db2.gz QJKPLQQPHDHBAR-OAQYLSRUSA-N 1 1 411.550 1.571 20 0 HDADMO C[NH+]1CCN(C(=O)Cc2cccc(NCc3cccc(NS(C)(=O)=O)c3)c2)CC1 ZINC000676326575 1075507748 /nfs/dbraw/zinc/50/77/48/1075507748.db2.gz NHNFUVFOBHEGQE-UHFFFAOYSA-N 1 1 416.547 1.987 20 0 HDADMO COc1cccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1OC ZINC000676309517 1075509075 /nfs/dbraw/zinc/50/90/75/1075509075.db2.gz ZBFHVAHPRCHMLL-UHFFFAOYSA-N 1 1 413.478 1.293 20 0 HDADMO C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676334581 1075510381 /nfs/dbraw/zinc/51/03/81/1075510381.db2.gz ZWZMNPQVZDGXTF-XLIONFOSSA-N 1 1 403.523 1.529 20 0 HDADMO C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676334581 1075510387 /nfs/dbraw/zinc/51/03/87/1075510387.db2.gz ZWZMNPQVZDGXTF-XLIONFOSSA-N 1 1 403.523 1.529 20 0 HDADMO COc1cc(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1OC(C)C ZINC000731755925 1075512254 /nfs/dbraw/zinc/51/22/54/1075512254.db2.gz BWCJNHQJXILSHE-UHFFFAOYSA-N 1 1 406.527 1.834 20 0 HDADMO CS(=O)(=O)c1ccc(OCCCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000676340867 1075514073 /nfs/dbraw/zinc/51/40/73/1075514073.db2.gz LRVYUBFVGDYWLG-KRWDZBQOSA-N 1 1 410.536 1.572 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000731762331 1075516013 /nfs/dbraw/zinc/51/60/13/1075516013.db2.gz PGBGAWVAVXRJKU-INIZCTEOSA-N 1 1 416.444 1.591 20 0 HDADMO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000731762245 1075516334 /nfs/dbraw/zinc/51/63/34/1075516334.db2.gz KKTLSNVNHLSUMM-HNNXBMFYSA-N 1 1 411.547 1.190 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000731762159 1075516424 /nfs/dbraw/zinc/51/64/24/1075516424.db2.gz GPHRQVSLJDPUMR-NRFANRHFSA-N 1 1 420.529 1.833 20 0 HDADMO O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676342674 1075516467 /nfs/dbraw/zinc/51/64/67/1075516467.db2.gz RUGHICDKJHEAOS-OAHLLOKOSA-N 1 1 420.453 1.498 20 0 HDADMO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000429426316 1075519071 /nfs/dbraw/zinc/51/90/71/1075519071.db2.gz FKHBCTRGPFHHLX-MRXNPFEDSA-N 1 1 406.552 1.714 20 0 HDADMO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000429426316 1075519076 /nfs/dbraw/zinc/51/90/76/1075519076.db2.gz FKHBCTRGPFHHLX-MRXNPFEDSA-N 1 1 406.552 1.714 20 0 HDADMO C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676333372 1075523750 /nfs/dbraw/zinc/52/37/50/1075523750.db2.gz LFLRAUKVJQLVKW-FXAWDEMLSA-N 1 1 402.539 1.786 20 0 HDADMO C[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676333372 1075523752 /nfs/dbraw/zinc/52/37/52/1075523752.db2.gz LFLRAUKVJQLVKW-FXAWDEMLSA-N 1 1 402.539 1.786 20 0 HDADMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000731826620 1075525051 /nfs/dbraw/zinc/52/50/51/1075525051.db2.gz GJVGLTLVLVEDQK-ZDUSSCGKSA-N 1 1 408.549 1.453 20 0 HDADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000731809232 1075527408 /nfs/dbraw/zinc/52/74/08/1075527408.db2.gz RFOFCYSLAGYNDP-ZIAGYGMSSA-N 1 1 406.533 1.655 20 0 HDADMO CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543671941 1075527597 /nfs/dbraw/zinc/52/75/97/1075527597.db2.gz DWVAMOLFWIRALN-RBUKOAKNSA-N 1 1 402.539 1.829 20 0 HDADMO CN1C(=S)N=NC1C1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000731810396 1075528136 /nfs/dbraw/zinc/52/81/36/1075528136.db2.gz HUXRLFFQBKPUFR-SFHVURJKSA-N 1 1 414.579 1.799 20 0 HDADMO COc1nccc(NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1 ZINC000554922310 1075528864 /nfs/dbraw/zinc/52/88/64/1075528864.db2.gz QOJIOPDUHNXQTO-UHFFFAOYSA-N 1 1 415.494 2.297 20 0 HDADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000731848557 1075531347 /nfs/dbraw/zinc/53/13/47/1075531347.db2.gz UWOONAMVNSWUOF-OKSBFYSISA-N 1 1 403.504 1.704 20 0 HDADMO CCCOC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000731838662 1075544183 /nfs/dbraw/zinc/54/41/83/1075544183.db2.gz KGMCYBCETZORJZ-IBGZPJMESA-N 1 1 417.506 1.905 20 0 HDADMO CCc1nnc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000572147471 1075544228 /nfs/dbraw/zinc/54/42/28/1075544228.db2.gz HMPWHCGKWNVFRF-QGZVFWFLSA-N 1 1 400.552 2.525 20 0 HDADMO CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000731843358 1075547284 /nfs/dbraw/zinc/54/72/84/1075547284.db2.gz QQAMMROXGKTMOS-SXGWCWSVSA-N 1 1 423.579 1.472 20 0 HDADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000731873758 1075549102 /nfs/dbraw/zinc/54/91/02/1075549102.db2.gz ZYPJRDXHBFZIQG-YADHBBJMSA-N 1 1 424.545 1.886 20 0 HDADMO COc1ccc(C2(CNC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)CCC2)cc1 ZINC000676436701 1075553290 /nfs/dbraw/zinc/55/32/90/1075553290.db2.gz LDCXZLAYRNAKLU-KRWDZBQOSA-N 1 1 417.550 1.537 20 0 HDADMO COc1ccc(C2(CNC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)CCC2)cc1 ZINC000676436701 1075553294 /nfs/dbraw/zinc/55/32/94/1075553294.db2.gz LDCXZLAYRNAKLU-KRWDZBQOSA-N 1 1 417.550 1.537 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676451987 1075557408 /nfs/dbraw/zinc/55/74/08/1075557408.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 1 1 424.549 1.787 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676451987 1075557414 /nfs/dbraw/zinc/55/74/14/1075557414.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 1 1 424.549 1.787 20 0 HDADMO COc1ccccc1C1(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCC1 ZINC000676474275 1075563840 /nfs/dbraw/zinc/56/38/40/1075563840.db2.gz LMLUUXNCEALTLX-QGZVFWFLSA-N 1 1 417.550 1.537 20 0 HDADMO COc1ccccc1C1(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCC1 ZINC000676474275 1075563842 /nfs/dbraw/zinc/56/38/42/1075563842.db2.gz LMLUUXNCEALTLX-QGZVFWFLSA-N 1 1 417.550 1.537 20 0 HDADMO CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000509416859 1075565858 /nfs/dbraw/zinc/56/58/58/1075565858.db2.gz NUFNMGWGHHONLH-WOJBJXKFSA-N 1 1 410.603 1.897 20 0 HDADMO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000676497822 1075569469 /nfs/dbraw/zinc/56/94/69/1075569469.db2.gz JLZBPLIFZQWNBY-LJQANCHMSA-N 1 1 410.584 1.903 20 0 HDADMO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000504542758 1075569847 /nfs/dbraw/zinc/56/98/47/1075569847.db2.gz UUWWEVXKCMFQRF-IBGZPJMESA-N 1 1 402.520 1.833 20 0 HDADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676500813 1075570208 /nfs/dbraw/zinc/57/02/08/1075570208.db2.gz DZEZTNAGSXIGCF-ZVDOUQERSA-N 1 1 405.587 1.051 20 0 HDADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676500813 1075570213 /nfs/dbraw/zinc/57/02/13/1075570213.db2.gz DZEZTNAGSXIGCF-ZVDOUQERSA-N 1 1 405.587 1.051 20 0 HDADMO COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@@H](C)C2 ZINC000676503279 1075570498 /nfs/dbraw/zinc/57/04/98/1075570498.db2.gz YJKCKZAJSBTCLT-LPHOPBHVSA-N 1 1 418.538 1.224 20 0 HDADMO C[C@@H]1COCCCN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000676504043 1075571052 /nfs/dbraw/zinc/57/10/52/1075571052.db2.gz QIDQZANRCFCWRZ-QGZVFWFLSA-N 1 1 404.511 1.668 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448291312 1075571382 /nfs/dbraw/zinc/57/13/82/1075571382.db2.gz LRGGWQGLWFXESI-AWEZNQCLSA-N 1 1 411.432 2.173 20 0 HDADMO CCOC(=O)C[NH+]1CCC(COC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000731918965 1075571582 /nfs/dbraw/zinc/57/15/82/1075571582.db2.gz CYXJKJGEXKEYJC-UHFFFAOYSA-N 1 1 402.447 1.491 20 0 HDADMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 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COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869774 721180230 /nfs/dbraw/zinc/18/02/30/721180230.db2.gz BINPRFFOTGMMLS-PMACEKPBSA-N 1 1 412.490 1.760 20 0 HDADMO COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869776 721180364 /nfs/dbraw/zinc/18/03/64/721180364.db2.gz BINPRFFOTGMMLS-VQTJNVASSA-N 1 1 412.490 1.760 20 0 HDADMO CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2C1 ZINC001164872194 721182613 /nfs/dbraw/zinc/18/26/13/721182613.db2.gz GUPZWRIGDJMWFV-IAGOWNOFSA-N 1 1 414.941 1.993 20 0 HDADMO COC(=O)c1cc2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C ZINC001164764316 721186640 /nfs/dbraw/zinc/18/66/40/721186640.db2.gz HALPKYGAFXQTBN-NVXWUHKLSA-N 1 1 409.494 1.447 20 0 HDADMO COC(=O)c1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2n1C ZINC001164764317 721188220 /nfs/dbraw/zinc/18/82/20/721188220.db2.gz HALPKYGAFXQTBN-RDJZCZTQSA-N 1 1 409.494 1.447 20 0 HDADMO CNC(=O)[C@@]12CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164871361 721207521 /nfs/dbraw/zinc/20/75/21/721207521.db2.gz YRGFRVJSWRKVNN-CVDCTZTESA-N 1 1 421.549 1.687 20 0 HDADMO CSc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164876796 721262541 /nfs/dbraw/zinc/26/25/41/721262541.db2.gz PPIBWIGWRBNZLK-UHFFFAOYSA-N 1 1 413.975 1.859 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)C1 ZINC001164870422 721265896 /nfs/dbraw/zinc/26/58/96/721265896.db2.gz YIQCTRYTZGFOBG-UHFFFAOYSA-N 1 1 417.888 1.682 20 0 HDADMO CCOC(=O)c1cccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164869400 721269568 /nfs/dbraw/zinc/26/95/68/721269568.db2.gz NMUNXRWVTMCBLV-UHFFFAOYSA-N 1 1 404.511 1.265 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c(F)cccc43)CC2)C1 ZINC001164868551 721270415 /nfs/dbraw/zinc/27/04/15/721270415.db2.gz BQPPHFJDAGPCQK-UHFFFAOYSA-N 1 1 401.486 1.776 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)C1 ZINC001164868539 721273815 /nfs/dbraw/zinc/27/38/15/721273815.db2.gz BBCLSKFMCSRKCY-UHFFFAOYSA-N 1 1 417.888 1.682 20 0 HDADMO Cc1[nH]c2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164872388 721274156 /nfs/dbraw/zinc/27/41/56/721274156.db2.gz CGKCQOLHEABHSA-UHFFFAOYSA-N 1 1 400.527 1.582 20 0 HDADMO CC(C)COc1cncc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164875730 721287492 /nfs/dbraw/zinc/28/74/92/721287492.db2.gz GGMSINHZVAZPMP-UHFFFAOYSA-N 1 1 405.543 1.518 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccncc4)nn3)CC2)C1 ZINC001164878681 721287937 /nfs/dbraw/zinc/28/79/37/721287937.db2.gz SRQPQEYTKLDTFQ-UHFFFAOYSA-N 1 1 410.522 1.546 20 0 HDADMO COC(=O)c1nccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164775900 721337624 /nfs/dbraw/zinc/33/76/24/721337624.db2.gz AMIPRIAUDDPCCB-OAQYLSRUSA-N 1 1 415.494 1.987 20 0 HDADMO COC(=O)c1nccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164775900 721337629 /nfs/dbraw/zinc/33/76/29/721337629.db2.gz AMIPRIAUDDPCCB-OAQYLSRUSA-N 1 1 415.494 1.987 20 0 HDADMO CNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164782271 721369568 /nfs/dbraw/zinc/36/95/68/721369568.db2.gz MAXVYPYCZCDJDZ-NRFANRHFSA-N 1 1 414.510 1.560 20 0 HDADMO CNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164782271 721369572 /nfs/dbraw/zinc/36/95/72/721369572.db2.gz MAXVYPYCZCDJDZ-NRFANRHFSA-N 1 1 414.510 1.560 20 0 HDADMO CCOC(=O)c1cncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886346 721379122 /nfs/dbraw/zinc/37/91/22/721379122.db2.gz FIGQDLMBHVMXLC-UTKZUKDTSA-N 1 1 403.527 1.419 20 0 HDADMO COC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892277 721383573 /nfs/dbraw/zinc/38/35/73/721383573.db2.gz SRGQUSBVNVDCKC-FOIQADDNSA-N 1 1 423.945 1.682 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C(N)=O)n4)C3)O2)CC1 ZINC001164885578 721387920 /nfs/dbraw/zinc/38/79/20/721387920.db2.gz COIDGRCHOPGLRO-YWZLYKJASA-N 1 1 407.946 1.599 20 0 HDADMO CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884968 721390835 /nfs/dbraw/zinc/39/08/35/721390835.db2.gz BEYSDCUSHDAFPR-REWPJTCUSA-N 1 1 416.566 1.953 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1 ZINC001164890551 721397739 /nfs/dbraw/zinc/39/77/39/721397739.db2.gz OEYXLGGLJZIBEA-IERDGZPVSA-N 1 1 400.502 1.929 20 0 HDADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164892004 721402358 /nfs/dbraw/zinc/40/23/58/721402358.db2.gz XWQMVMXIRSMKTP-FOIQADDNSA-N 1 1 419.961 1.782 20 0 HDADMO CNC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1Cl ZINC001164889796 721420657 /nfs/dbraw/zinc/42/06/57/721420657.db2.gz RMFKXUGQVLOENN-HRAATJIYSA-N 1 1 421.973 1.860 20 0 HDADMO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895418 721425596 /nfs/dbraw/zinc/42/55/96/721425596.db2.gz OUTJPEAWYMMTPY-OFNKIYASSA-N 1 1 414.598 1.709 20 0 HDADMO CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164789018 721425712 /nfs/dbraw/zinc/42/57/12/721425712.db2.gz VLBCXQQXRFYSSX-HUUCEWRRSA-N 1 1 407.565 1.793 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1 ZINC001164888667 721437388 /nfs/dbraw/zinc/43/73/88/721437388.db2.gz ABCKCQOUCGIYBH-GCJKJVERSA-N 1 1 411.554 1.927 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1 ZINC001164893102 721446271 /nfs/dbraw/zinc/44/62/71/721446271.db2.gz JAAIWBOVADSTHN-YWZLYKJASA-N 1 1 407.946 1.599 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1 ZINC001164892757 721453625 /nfs/dbraw/zinc/45/36/25/721453625.db2.gz XVZUARKFIRYCCL-VGOFRKELSA-N 1 1 414.554 1.218 20 0 HDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(N)=O)nn1)CC2 ZINC001164784475 721454115 /nfs/dbraw/zinc/45/41/15/721454115.db2.gz FSAASRBYXQHFPL-KRWDZBQOSA-N 1 1 403.527 1.309 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@@H]2CCCO[C@@H]21 ZINC001164803092 721561640 /nfs/dbraw/zinc/56/16/40/721561640.db2.gz JJARZOOMNSBKHQ-CPUCHLNUSA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@@H]2CCCO[C@@H]21 ZINC001164803092 721561643 /nfs/dbraw/zinc/56/16/43/721561643.db2.gz JJARZOOMNSBKHQ-CPUCHLNUSA-N 1 1 402.886 1.492 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@@H]2CCCO[C@@H]12 ZINC001164801209 721573597 /nfs/dbraw/zinc/57/35/97/721573597.db2.gz GLKIAVYSKDCRDE-JFIYKMOQSA-N 1 1 408.506 1.970 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@@H]2CCCO[C@@H]12 ZINC001164801209 721573604 /nfs/dbraw/zinc/57/36/04/721573604.db2.gz GLKIAVYSKDCRDE-JFIYKMOQSA-N 1 1 408.506 1.970 20 0 HDADMO Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n1)C(=O)NC2=O ZINC001164806737 721575063 /nfs/dbraw/zinc/57/50/63/721575063.db2.gz RJYMQQPKTOHFTO-ZIFCJYIRSA-N 1 1 407.474 1.537 20 0 HDADMO 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C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2NC(=O)CS3)[C@@H]2CCCO[C@H]12 ZINC001164801510 721590950 /nfs/dbraw/zinc/59/09/50/721590950.db2.gz FBXHEIQFAFPJFL-RKVPGOIHSA-N 1 1 412.519 1.784 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164808869 721591729 /nfs/dbraw/zinc/59/17/29/721591729.db2.gz QZYFHSKMPMHTEQ-GGPKGHCWSA-N 1 1 408.506 1.716 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164808869 721591731 /nfs/dbraw/zinc/59/17/31/721591731.db2.gz QZYFHSKMPMHTEQ-GGPKGHCWSA-N 1 1 408.506 1.716 20 0 HDADMO Cc1nc(N2CCCC2)cc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1 ZINC001164911608 721770502 /nfs/dbraw/zinc/77/05/02/721770502.db2.gz HTDRYRFFEUITJS-QHCPKHFHSA-N 1 1 424.549 1.888 20 0 HDADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@@H]21 ZINC001165026379 721828600 /nfs/dbraw/zinc/82/86/00/721828600.db2.gz PGFOJBUSDUYRAZ-BHYGNILZSA-N 1 1 402.524 1.256 20 0 HDADMO 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ZINC001164956599 722045863 /nfs/dbraw/zinc/04/58/63/722045863.db2.gz BKYQUSPFPZVZGN-LJQANCHMSA-N 1 1 414.550 1.910 20 0 HDADMO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164966660 722073848 /nfs/dbraw/zinc/07/38/48/722073848.db2.gz FPACTVWKPFSHMN-KDURUIRLSA-N 1 1 415.538 1.556 20 0 HDADMO C[NH+]1CCN(c2nccc(N3CCC4(CC3)Cc3ccccc3CNC4=O)n2)CC1 ZINC001164968168 722078492 /nfs/dbraw/zinc/07/84/92/722078492.db2.gz UQMAUUKOQMZCFL-UHFFFAOYSA-N 1 1 406.534 1.688 20 0 HDADMO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCNC2 ZINC001164984765 722104932 /nfs/dbraw/zinc/10/49/32/722104932.db2.gz UWYFRSXLZVDEJG-VQIMIIECSA-N 1 1 414.941 1.898 20 0 HDADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCNC2 ZINC001164984765 722104933 /nfs/dbraw/zinc/10/49/33/722104933.db2.gz UWYFRSXLZVDEJG-VQIMIIECSA-N 1 1 414.941 1.898 20 0 HDADMO NC(=O)c1ncc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973104 722110005 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COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)nn2)cc1 ZINC000674777605 1074552850 /nfs/dbraw/zinc/55/28/50/1074552850.db2.gz BJRGEPGZVKIACY-MRXNPFEDSA-N 1 1 413.526 1.244 20 0 HDADMO COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000674778547 1074553856 /nfs/dbraw/zinc/55/38/56/1074553856.db2.gz LCZVJSPOKOKDGP-IBGZPJMESA-N 1 1 404.555 1.988 20 0 HDADMO COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674778547 1074553862 /nfs/dbraw/zinc/55/38/62/1074553862.db2.gz LCZVJSPOKOKDGP-IBGZPJMESA-N 1 1 404.555 1.988 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2cccs2)CC1 ZINC000674783766 1074564435 /nfs/dbraw/zinc/56/44/35/1074564435.db2.gz PXWZDSOAICVQBH-SFHVURJKSA-N 1 1 407.584 1.423 20 0 HDADMO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000674800619 1074574286 /nfs/dbraw/zinc/57/42/86/1074574286.db2.gz KYIWWFMPYMPXKJ-WMZOPIPTSA-N 1 1 411.543 1.474 20 0 HDADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000674800731 1074574600 /nfs/dbraw/zinc/57/46/00/1074574600.db2.gz OPODJWOWQJZDTM-KRWDZBQOSA-N 1 1 403.914 1.866 20 0 HDADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000674808871 1074575516 /nfs/dbraw/zinc/57/55/16/1074575516.db2.gz KYIYUBAQZQOOBX-IRXDYDNUSA-N 1 1 419.551 1.210 20 0 HDADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)ccc1=O ZINC000674811671 1074575943 /nfs/dbraw/zinc/57/59/43/1074575943.db2.gz OAYLFWIWIPXRKV-GOSISDBHSA-N 1 1 415.490 1.516 20 0 HDADMO CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1Cl ZINC000674830712 1074587375 /nfs/dbraw/zinc/58/73/75/1074587375.db2.gz SSGFVIYKRJCDAM-KSSFIOAISA-N 1 1 411.930 1.970 20 0 HDADMO CCCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000674830712 1074587382 /nfs/dbraw/zinc/58/73/82/1074587382.db2.gz SSGFVIYKRJCDAM-KSSFIOAISA-N 1 1 411.930 1.970 20 0 HDADMO Cc1c(C(=O)Nc2ncnn2-c2ccccc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000674890747 1074597829 /nfs/dbraw/zinc/59/78/29/1074597829.db2.gz BRJJXSAYANOWMK-UHFFFAOYSA-N 1 1 414.473 1.819 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)CC2)C1 ZINC000674877382 1074599624 /nfs/dbraw/zinc/59/96/24/1074599624.db2.gz RBDNZWLZIZJHTC-IRXDYDNUSA-N 1 1 407.509 1.965 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)CC2)C1 ZINC000674877380 1074599669 /nfs/dbraw/zinc/59/96/69/1074599669.db2.gz RBDNZWLZIZJHTC-IAGOWNOFSA-N 1 1 407.509 1.965 20 0 HDADMO CCc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)no1 ZINC000674895160 1074610972 /nfs/dbraw/zinc/61/09/72/1074610972.db2.gz ZYONREQEWDNTHV-AWEZNQCLSA-N 1 1 402.451 1.583 20 0 HDADMO CCc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)no1 ZINC000674895160 1074610975 /nfs/dbraw/zinc/61/09/75/1074610975.db2.gz ZYONREQEWDNTHV-AWEZNQCLSA-N 1 1 402.451 1.583 20 0 HDADMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674910304 1074615709 /nfs/dbraw/zinc/61/57/09/1074615709.db2.gz KMNDDOGLLWQXBR-COPCDDAFSA-N 1 1 417.550 1.403 20 0 HDADMO COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000674922679 1074622297 /nfs/dbraw/zinc/62/22/97/1074622297.db2.gz PUDGCXXZQDEJMM-NHCUHLMSSA-N 1 1 421.538 1.733 20 0 HDADMO COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000674926554 1074624072 /nfs/dbraw/zinc/62/40/72/1074624072.db2.gz CIPQXSIEUFFWIM-QZTJIDSGSA-N 1 1 401.555 1.742 20 0 HDADMO COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000674926554 1074624082 /nfs/dbraw/zinc/62/40/82/1074624082.db2.gz CIPQXSIEUFFWIM-QZTJIDSGSA-N 1 1 401.555 1.742 20 0 HDADMO C[C@H](c1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1)[NH+]1CCOCC1 ZINC000674999445 1074666393 /nfs/dbraw/zinc/66/63/93/1074666393.db2.gz ZTLAUBSROPJGPA-UXPWSPDFSA-N 1 1 417.506 1.425 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000429312299 1074681776 /nfs/dbraw/zinc/68/17/76/1074681776.db2.gz SEMFYJIZEDBUNV-IAGOWNOFSA-N 1 1 404.511 1.013 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000429312301 1074681913 /nfs/dbraw/zinc/68/19/13/1074681913.db2.gz SEMFYJIZEDBUNV-SJORKVTESA-N 1 1 404.511 1.013 20 0 HDADMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429316550 1074705349 /nfs/dbraw/zinc/70/53/49/1074705349.db2.gz MAWYRQPKCAUGMP-OAQYLSRUSA-N 1 1 416.566 1.972 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1C1CCCCC1 ZINC000572328396 1074714497 /nfs/dbraw/zinc/71/44/97/1074714497.db2.gz XXECEKCSXJGTMW-UHFFFAOYSA-N 1 1 403.527 1.958 20 0 HDADMO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675103582 1074719657 /nfs/dbraw/zinc/71/96/57/1074719657.db2.gz XPZGRCWBCXGHSJ-DLBZAZTESA-N 1 1 422.961 1.019 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106758 1074721491 /nfs/dbraw/zinc/72/14/91/1074721491.db2.gz NMHKOPCIGRYXHM-AEFFLSMTSA-N 1 1 401.511 1.575 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106761 1074721597 /nfs/dbraw/zinc/72/15/97/1074721597.db2.gz NMHKOPCIGRYXHM-WMZOPIPTSA-N 1 1 401.511 1.575 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CCN2C1=O ZINC000675108370 1074723385 /nfs/dbraw/zinc/72/33/85/1074723385.db2.gz TWFYYOOKHWQLBN-UHOSZYNNSA-N 1 1 413.522 1.575 20 0 HDADMO Cc1cc(F)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cc1F ZINC000675136741 1074728585 /nfs/dbraw/zinc/72/85/85/1074728585.db2.gz YGOPWDSORQOJPE-UHFFFAOYSA-N 1 1 408.493 1.584 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000675127039 1074731030 /nfs/dbraw/zinc/73/10/30/1074731030.db2.gz YXYSGCCBWJNMSC-WMZOPIPTSA-N 1 1 404.474 1.985 20 0 HDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)CC1 ZINC000675141640 1074741403 /nfs/dbraw/zinc/74/14/03/1074741403.db2.gz XBPWJDAGTQBXOG-CALCHBBNSA-N 1 1 424.567 1.685 20 0 HDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)CC1 ZINC000675141640 1074741413 /nfs/dbraw/zinc/74/14/13/1074741413.db2.gz XBPWJDAGTQBXOG-CALCHBBNSA-N 1 1 424.567 1.685 20 0 HDADMO COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)n1 ZINC000537255295 1074748655 /nfs/dbraw/zinc/74/86/55/1074748655.db2.gz SSBUBRJSTPCWTI-ZWKOTPCHSA-N 1 1 420.558 1.857 20 0 HDADMO COC(=O)Cn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)n1 ZINC000537255293 1074748832 /nfs/dbraw/zinc/74/88/32/1074748832.db2.gz SSBUBRJSTPCWTI-ROUUACIJSA-N 1 1 420.558 1.857 20 0 HDADMO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nn1C1CCCCC1 ZINC000579676495 1074750773 /nfs/dbraw/zinc/75/07/73/1074750773.db2.gz SFDQCHRHQLSTDR-IBGZPJMESA-N 1 1 418.586 2.023 20 0 HDADMO O=C(NCCCc1ccc2c(c1)OCCO2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675191607 1074753036 /nfs/dbraw/zinc/75/30/36/1074753036.db2.gz SVYIWSWYKARGLX-LJQANCHMSA-N 1 1 418.538 1.096 20 0 HDADMO O=C(NCCNc1cc[nH+]c(N2CCOCC2)n1)c1ccc(Br)cc1 ZINC000543701080 1074753322 /nfs/dbraw/zinc/75/33/22/1074753322.db2.gz VNJABQYXGJPJKT-UHFFFAOYSA-N 1 1 406.284 1.918 20 0 HDADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1 ZINC000675213181 1074765328 /nfs/dbraw/zinc/76/53/28/1074765328.db2.gz SHJQOOKYOCXQHT-KRWDZBQOSA-N 1 1 404.511 1.837 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)CC(C)(C)OC)cc2)CC1 ZINC000675216058 1074765754 /nfs/dbraw/zinc/76/57/54/1074765754.db2.gz VYBVTPOXFGFFHX-UHFFFAOYSA-N 1 1 404.511 1.286 20 0 HDADMO C[N@@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000030030352 1074779336 /nfs/dbraw/zinc/77/93/36/1074779336.db2.gz WMJGOLUFPFLXHZ-HXUWFJFHSA-N 1 1 401.532 1.907 20 0 HDADMO C[N@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000030030352 1074779345 /nfs/dbraw/zinc/77/93/45/1074779345.db2.gz WMJGOLUFPFLXHZ-HXUWFJFHSA-N 1 1 401.532 1.907 20 0 HDADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444511291 1074783877 /nfs/dbraw/zinc/78/38/77/1074783877.db2.gz WFRFWTOSTQAULN-ZDUSSCGKSA-N 1 1 411.478 2.177 20 0 HDADMO CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675280006 1074784260 /nfs/dbraw/zinc/78/42/60/1074784260.db2.gz ATBPWJMTINFNCM-GOSISDBHSA-N 1 1 423.579 1.586 20 0 HDADMO COc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)c(C)c12 ZINC000675281777 1074786640 /nfs/dbraw/zinc/78/66/40/1074786640.db2.gz UBWCAAXHHNISBH-INIZCTEOSA-N 1 1 401.511 1.459 20 0 HDADMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675297692 1074791427 /nfs/dbraw/zinc/79/14/27/1074791427.db2.gz QKHMKBYRPJQVLZ-WMLDXEAASA-N 1 1 420.460 1.319 20 0 HDADMO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000477092948 1074791501 /nfs/dbraw/zinc/79/15/01/1074791501.db2.gz DDBTZSLMZBTSFX-IRXDYDNUSA-N 1 1 421.561 1.601 20 0 HDADMO C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000675300500 1074792073 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C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676248074 1075448083 /nfs/dbraw/zinc/44/80/83/1075448083.db2.gz MCNUBKFDPVEZMD-YZLZLFLDSA-N 1 1 418.538 1.454 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676258914 1075454292 /nfs/dbraw/zinc/45/42/92/1075454292.db2.gz OVGKKEDMFKCDRM-VQIMIIECSA-N 1 1 409.552 1.231 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676258914 1075454295 /nfs/dbraw/zinc/45/42/95/1075454295.db2.gz OVGKKEDMFKCDRM-VQIMIIECSA-N 1 1 409.552 1.231 20 0 HDADMO Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2=O)ccc1Br ZINC000676258787 1075454803 /nfs/dbraw/zinc/45/48/03/1075454803.db2.gz DNYAJHZNVAQNMA-CPUCHLNUSA-N 1 1 424.339 1.946 20 0 HDADMO Cc1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2=O)ccc1Br ZINC000676258787 1075454806 /nfs/dbraw/zinc/45/48/06/1075454806.db2.gz DNYAJHZNVAQNMA-CPUCHLNUSA-N 1 1 424.339 1.946 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676258898 1075455220 /nfs/dbraw/zinc/45/52/20/1075455220.db2.gz OVGKKEDMFKCDRM-APWZRJJASA-N 1 1 409.552 1.231 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676258898 1075455224 /nfs/dbraw/zinc/45/52/24/1075455224.db2.gz OVGKKEDMFKCDRM-APWZRJJASA-N 1 1 409.552 1.231 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]2C(=O)OCc2ccccc2)C1 ZINC000731669593 1075455400 /nfs/dbraw/zinc/45/54/00/1075455400.db2.gz SMRGIGWRISQBKM-NHCUHLMSSA-N 1 1 417.550 1.667 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]2C(=O)OCc2ccccc2)C1 ZINC000731669595 1075455562 /nfs/dbraw/zinc/45/55/62/1075455562.db2.gz SMRGIGWRISQBKM-RTWAWAEBSA-N 1 1 417.550 1.667 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676259842 1075456556 /nfs/dbraw/zinc/45/65/56/1075456556.db2.gz QPFDCDQLZYVKDG-APWZRJJASA-N 1 1 411.568 1.485 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676259842 1075456560 /nfs/dbraw/zinc/45/65/60/1075456560.db2.gz QPFDCDQLZYVKDG-APWZRJJASA-N 1 1 411.568 1.485 20 0 HDADMO C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676259711 1075456575 /nfs/dbraw/zinc/45/65/75/1075456575.db2.gz PDZZDBXBVMTERI-MLGOLLRUSA-N 1 1 406.483 1.912 20 0 HDADMO C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676259711 1075456579 /nfs/dbraw/zinc/45/65/79/1075456579.db2.gz PDZZDBXBVMTERI-MLGOLLRUSA-N 1 1 406.483 1.912 20 0 HDADMO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676260880 1075458083 /nfs/dbraw/zinc/45/80/83/1075458083.db2.gz LMVNNVJPXDPKFI-RDTXWAMCSA-N 1 1 406.483 1.008 20 0 HDADMO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676260880 1075458089 /nfs/dbraw/zinc/45/80/89/1075458089.db2.gz LMVNNVJPXDPKFI-RDTXWAMCSA-N 1 1 406.483 1.008 20 0 HDADMO C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1C[N@H+](C)CCO1 ZINC000676260475 1075458745 /nfs/dbraw/zinc/45/87/45/1075458745.db2.gz KGGLPKVONFICJM-IIBYNOLFSA-N 1 1 421.497 1.974 20 0 HDADMO C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676260475 1075458747 /nfs/dbraw/zinc/45/87/47/1075458747.db2.gz KGGLPKVONFICJM-IIBYNOLFSA-N 1 1 421.497 1.974 20 0 HDADMO C[N@@H+](CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000731680162 1075462408 /nfs/dbraw/zinc/46/24/08/1075462408.db2.gz AKNNREFIUCMNMT-UHFFFAOYSA-N 1 1 410.584 1.317 20 0 HDADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731682472 1075464580 /nfs/dbraw/zinc/46/45/80/1075464580.db2.gz SNLVDJIITDDAHQ-QGZVFWFLSA-N 1 1 402.605 1.307 20 0 HDADMO Cc1cccc(NC(=O)CN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1C ZINC000676249021 1075465411 /nfs/dbraw/zinc/46/54/11/1075465411.db2.gz ZSFGAOXFLTUFHM-AZUAARDMSA-N 1 1 417.554 1.288 20 0 HDADMO 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/nfs/dbraw/zinc/55/07/19/1075550719.db2.gz RMHLLDAYRGCYDS-WMLDXEAASA-N 1 1 410.400 1.554 20 0 HDADMO O=C(N1CCO[C@H](c2nn[nH]n2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000731880614 1075550727 /nfs/dbraw/zinc/55/07/27/1075550727.db2.gz RMHLLDAYRGCYDS-WMLDXEAASA-N 1 1 410.400 1.554 20 0 HDADMO Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000731884835 1075555235 /nfs/dbraw/zinc/55/52/35/1075555235.db2.gz HAYKYEJYDFKJFF-UHFFFAOYSA-N 1 1 402.568 1.638 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676451985 1075557515 /nfs/dbraw/zinc/55/75/15/1075557515.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 1 1 424.549 1.787 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676451985 1075557519 /nfs/dbraw/zinc/55/75/19/1075557519.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 1 1 424.549 1.787 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC000676452520 1075558693 /nfs/dbraw/zinc/55/86/93/1075558693.db2.gz CKDIZXVNIMWXEF-PZJWPPBQSA-N 1 1 420.513 1.962 20 0 HDADMO CCn1c2ccc(NC(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)nc2n(CC)c1=O ZINC000580265121 1075558892 /nfs/dbraw/zinc/55/88/92/1075558892.db2.gz DCQPIUAZJDRFOV-HNNXBMFYSA-N 1 1 418.542 1.801 20 0 HDADMO CCn1c2ccc(NC(=O)CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)nc2n(CC)c1=O ZINC000461023458 1075559555 /nfs/dbraw/zinc/55/95/55/1075559555.db2.gz DCQPIUAZJDRFOV-OAHLLOKOSA-N 1 1 418.542 1.801 20 0 HDADMO CCc1ccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000804157668 1075562584 /nfs/dbraw/zinc/56/25/84/1075562584.db2.gz ZDBKRZHWMGBJMB-UXHICEINSA-N 1 1 403.523 1.112 20 0 HDADMO CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000676478926 1075565824 /nfs/dbraw/zinc/56/58/24/1075565824.db2.gz NVFVRNFCMRLAES-KRWDZBQOSA-N 1 1 419.551 1.987 20 0 HDADMO COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@@H](C)C2 ZINC000676503281 1075570711 /nfs/dbraw/zinc/57/07/11/1075570711.db2.gz YJKCKZAJSBTCLT-QFBILLFUSA-N 1 1 418.538 1.224 20 0 HDADMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1 ZINC000731919364 1075571239 /nfs/dbraw/zinc/57/12/39/1075571239.db2.gz OKMIZLAPSGKMDD-UHFFFAOYSA-N 1 1 417.462 1.554 20 0 HDADMO C[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000731942129 1075572314 /nfs/dbraw/zinc/57/23/14/1075572314.db2.gz IEOVBWNTGMWVEJ-OAHLLOKOSA-N 1 1 406.577 1.819 20 0 HDADMO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000676507704 1075572544 /nfs/dbraw/zinc/57/25/44/1075572544.db2.gz ZMDCNDSYCRDJEN-QUCCMNQESA-N 1 1 405.564 1.867 20 0 HDADMO C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1nc2ccccc2s1 ZINC000804165802 1075572927 /nfs/dbraw/zinc/57/29/27/1075572927.db2.gz FCACEIPFVIEGRA-OAHLLOKOSA-N 1 1 417.579 1.958 20 0 HDADMO C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1nc2ccccc2s1 ZINC000804165802 1075572931 /nfs/dbraw/zinc/57/29/31/1075572931.db2.gz FCACEIPFVIEGRA-OAHLLOKOSA-N 1 1 417.579 1.958 20 0 HDADMO CCn1nc(NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C1CC1 ZINC000584708152 1075573414 /nfs/dbraw/zinc/57/34/14/1075573414.db2.gz MXOLQXVWRBTCML-UHFFFAOYSA-N 1 1 424.505 1.745 20 0 HDADMO Cc1nc(C[NH+]2CCC(CNC(=S)NCCCN3CCOCC3)CC2)oc1C ZINC000731954104 1075573997 /nfs/dbraw/zinc/57/39/97/1075573997.db2.gz GUURHKJXXUPMFH-UHFFFAOYSA-N 1 1 409.600 1.690 20 0 HDADMO COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F ZINC000731961337 1075577020 /nfs/dbraw/zinc/57/70/20/1075577020.db2.gz JEYLLSLMUDVLHX-LJQANCHMSA-N 1 1 407.486 1.506 20 0 HDADMO CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1OC ZINC000731971278 1075579976 /nfs/dbraw/zinc/57/99/76/1075579976.db2.gz PJDILCSNNGJXKY-UYAOXDASSA-N 1 1 403.523 1.976 20 0 HDADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@H](C)O1 ZINC000676544131 1075581789 /nfs/dbraw/zinc/58/17/89/1075581789.db2.gz LKSZLJYJDTZKMX-HOTGVXAUSA-N 1 1 414.510 1.269 20 0 HDADMO CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000676550536 1075583132 /nfs/dbraw/zinc/58/31/32/1075583132.db2.gz KVCSWCONTDUMKP-QZTJIDSGSA-N 1 1 404.559 1.667 20 0 HDADMO CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000676550538 1075583145 /nfs/dbraw/zinc/58/31/45/1075583145.db2.gz KVCSWCONTDUMKP-ZWKOTPCHSA-N 1 1 404.559 1.667 20 0 HDADMO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1 ZINC000804167602 1075587243 /nfs/dbraw/zinc/58/72/43/1075587243.db2.gz QGFXMDZOUDCBRC-CABCVRRESA-N 1 1 415.563 1.758 20 0 HDADMO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1nc2ccccc2s1 ZINC000804167602 1075587247 /nfs/dbraw/zinc/58/72/47/1075587247.db2.gz QGFXMDZOUDCBRC-CABCVRRESA-N 1 1 415.563 1.758 20 0 HDADMO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676555946 1075588867 /nfs/dbraw/zinc/58/88/67/1075588867.db2.gz LPMTZGQVLWZDME-ZYSHUDEJSA-N 1 1 401.511 1.476 20 0 HDADMO C[N@@H+](CCCNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccccc1 ZINC000676545451 1075590563 /nfs/dbraw/zinc/59/05/63/1075590563.db2.gz RECYECNYXXTRQE-UHFFFAOYSA-N 1 1 406.490 1.903 20 0 HDADMO Cc1ccccc1CN1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000676546597 1075593823 /nfs/dbraw/zinc/59/38/23/1075593823.db2.gz JGXJXEUJTZHNSR-UHFFFAOYSA-N 1 1 412.538 1.426 20 0 HDADMO COCc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000509422748 1075597762 /nfs/dbraw/zinc/59/77/62/1075597762.db2.gz WESNRMBWSXAZSI-SFHVURJKSA-N 1 1 411.568 1.632 20 0 HDADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 ZINC000732060682 1075597958 /nfs/dbraw/zinc/59/79/58/1075597958.db2.gz ODGAAQQWSPYZJF-ZDUSSCGKSA-N 1 1 401.916 1.042 20 0 HDADMO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000732060867 1075598002 /nfs/dbraw/zinc/59/80/02/1075598002.db2.gz VQLVIAZTXZUGAV-CPZOXXFISA-N 1 1 411.593 1.766 20 0 HDADMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000543679180 1075599861 /nfs/dbraw/zinc/59/98/61/1075599861.db2.gz ARDGUBKZZUATGP-PKOBYXMFSA-N 1 1 407.536 1.091 20 0 HDADMO Cc1ccc(N2CCC(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)[nH+]c1 ZINC000676576335 1075600679 /nfs/dbraw/zinc/60/06/79/1075600679.db2.gz NRFCGQXYXBMCLO-UHFFFAOYSA-N 1 1 408.549 1.763 20 0 HDADMO C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1nc2ccccc2s1 ZINC000804173024 1075602619 /nfs/dbraw/zinc/60/26/19/1075602619.db2.gz XUQJTLBYRIRTES-KGLIPLIRSA-N 1 1 404.536 1.777 20 0 HDADMO C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1nc2ccccc2s1 ZINC000804173024 1075602621 /nfs/dbraw/zinc/60/26/21/1075602621.db2.gz XUQJTLBYRIRTES-KGLIPLIRSA-N 1 1 404.536 1.777 20 0 HDADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC000475831863 1075603689 /nfs/dbraw/zinc/60/36/89/1075603689.db2.gz LPDJVKQTGPCPHD-MRXNPFEDSA-N 1 1 413.526 1.920 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000804221657 1075607148 /nfs/dbraw/zinc/60/71/48/1075607148.db2.gz QNUHOGCPBRAXAZ-UHFFFAOYSA-N 1 1 402.495 1.068 20 0 HDADMO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000804179227 1075609976 /nfs/dbraw/zinc/60/99/76/1075609976.db2.gz ASJORJGRGLHDKY-DLBZAZTESA-N 1 1 404.511 1.531 20 0 HDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)OCC(F)(F)F)CC2)CC1 ZINC000732096364 1075610846 /nfs/dbraw/zinc/61/08/46/1075610846.db2.gz JUVHEGALYIPYIV-UHFFFAOYSA-N 1 1 422.448 1.068 20 0 HDADMO Cn1ccc(NC(=O)Cc2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)n1 ZINC000584020184 1075612544 /nfs/dbraw/zinc/61/25/44/1075612544.db2.gz PTPCNYUJERTJAE-UHFFFAOYSA-N 1 1 400.349 2.170 20 0 HDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3(OC)CCOCC3)CC2)CC1 ZINC000676614156 1075616186 /nfs/dbraw/zinc/61/61/86/1075616186.db2.gz YCAPNZRZEOMIDH-UHFFFAOYSA-N 1 1 410.559 1.158 20 0 HDADMO COC1(CNC(=O)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000676623150 1075622080 /nfs/dbraw/zinc/62/20/80/1075622080.db2.gz STVRUJAAYLIRJZ-CALCHBBNSA-N 1 1 419.522 1.546 20 0 HDADMO COC1(CNC(=O)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000676623150 1075622083 /nfs/dbraw/zinc/62/20/83/1075622083.db2.gz STVRUJAAYLIRJZ-CALCHBBNSA-N 1 1 419.522 1.546 20 0 HDADMO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000676634310 1075626136 /nfs/dbraw/zinc/62/61/36/1075626136.db2.gz XVKQHIHJSLLYHS-HXUWFJFHSA-N 1 1 422.485 1.888 20 0 HDADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000676635895 1075627326 /nfs/dbraw/zinc/62/73/26/1075627326.db2.gz MQLOQPMJPIDWPZ-UHFFFAOYSA-N 1 1 418.457 1.365 20 0 HDADMO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2F)CC1 ZINC000467845487 1075627648 /nfs/dbraw/zinc/62/76/48/1075627648.db2.gz CEAVRLVIPFHSBR-UHFFFAOYSA-N 1 1 419.530 1.364 20 0 HDADMO CCOCC[NH+]1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 ZINC000732121153 1075629605 /nfs/dbraw/zinc/62/96/05/1075629605.db2.gz DNCKOUBBHKMZMU-LJQANCHMSA-N 1 1 402.495 1.365 20 0 HDADMO 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ZINC000675186220 1074751334 /nfs/dbraw/zinc/75/13/34/1074751334.db2.gz MHOATMAKNNVNAB-IBGZPJMESA-N 1 1 403.575 1.552 20 0 HDADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000429244638 1074751658 /nfs/dbraw/zinc/75/16/58/1074751658.db2.gz HEYPQHICCVMDND-GOSISDBHSA-N 1 1 409.552 1.131 20 0 HDADMO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2=O)cc1 ZINC000675189541 1074752499 /nfs/dbraw/zinc/75/24/99/1074752499.db2.gz PHGJYWZLRPWLIC-MOPGFXCFSA-N 1 1 400.523 1.011 20 0 HDADMO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2=O)cc1 ZINC000675189541 1074752507 /nfs/dbraw/zinc/75/25/07/1074752507.db2.gz PHGJYWZLRPWLIC-MOPGFXCFSA-N 1 1 400.523 1.011 20 0 HDADMO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000670496937 1074756762 /nfs/dbraw/zinc/75/67/62/1074756762.db2.gz NOFMWHZSQHMERO-CQSZACIVSA-N 1 1 414.333 1.833 20 0 HDADMO COC(=O)Cn1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)n1 ZINC000511526052 1074757493 /nfs/dbraw/zinc/75/74/93/1074757493.db2.gz YKSWPCHKIFJVNE-MOPGFXCFSA-N 1 1 422.489 1.644 20 0 HDADMO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000670496615 1074757538 /nfs/dbraw/zinc/75/75/38/1074757538.db2.gz VFFIRAQMJXBCHE-ZDUSSCGKSA-N 1 1 416.349 1.956 20 0 HDADMO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000670496615 1074757544 /nfs/dbraw/zinc/75/75/44/1074757544.db2.gz VFFIRAQMJXBCHE-ZDUSSCGKSA-N 1 1 416.349 1.956 20 0 HDADMO CN(CCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000675218762 1074760632 /nfs/dbraw/zinc/76/06/32/1074760632.db2.gz ZQQMXUBKYRLHGN-KRWDZBQOSA-N 1 1 413.515 1.160 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1 ZINC000466668070 1074762076 /nfs/dbraw/zinc/76/20/76/1074762076.db2.gz CIMGLACEVYJRSI-RDJZCZTQSA-N 1 1 405.462 1.380 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@H+]1Cc1ccccc1 ZINC000466668068 1074762186 /nfs/dbraw/zinc/76/21/86/1074762186.db2.gz CIMGLACEVYJRSI-NVXWUHKLSA-N 1 1 405.462 1.380 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)nn1-c1ccccc1Cl ZINC000442344787 1074763695 /nfs/dbraw/zinc/76/36/95/1074763695.db2.gz QMEVUWQJIGXGNN-AWEZNQCLSA-N 1 1 401.898 2.539 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC[C@@H]21 ZINC000766100337 1074770096 /nfs/dbraw/zinc/77/00/96/1074770096.db2.gz ZXQIXSUTIUZWLG-DAESXHAQSA-N 1 1 402.470 1.535 20 0 HDADMO C[N@@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000030030353 1074779123 /nfs/dbraw/zinc/77/91/23/1074779123.db2.gz WMJGOLUFPFLXHZ-FQEVSTJZSA-N 1 1 401.532 1.907 20 0 HDADMO C[N@H+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000030030353 1074779130 /nfs/dbraw/zinc/77/91/30/1074779130.db2.gz WMJGOLUFPFLXHZ-FQEVSTJZSA-N 1 1 401.532 1.907 20 0 HDADMO C[C@H](O)C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000675272885 1074782938 /nfs/dbraw/zinc/78/29/38/1074782938.db2.gz HZKPASSMYNDGIO-SESVDKBCSA-N 1 1 404.555 1.247 20 0 HDADMO O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280011 1074784188 /nfs/dbraw/zinc/78/41/88/1074784188.db2.gz AUHOALIMOPEBFT-LJQANCHMSA-N 1 1 417.531 1.441 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000675297083 1074790667 /nfs/dbraw/zinc/79/06/67/1074790667.db2.gz BUMAARBURUSGPF-LJQANCHMSA-N 1 1 413.503 1.809 20 0 HDADMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675297691 1074791373 /nfs/dbraw/zinc/79/13/73/1074791373.db2.gz QKHMKBYRPJQVLZ-RHSMWYFYSA-N 1 1 420.460 1.319 20 0 HDADMO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675304715 1074794175 /nfs/dbraw/zinc/79/41/75/1074794175.db2.gz KRYVTTBYBSPGEN-INMHGKMJSA-N 1 1 404.898 1.305 20 0 HDADMO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675304714 1074794289 /nfs/dbraw/zinc/79/42/89/1074794289.db2.gz KRYVTTBYBSPGEN-HLLBOEOZSA-N 1 1 404.898 1.305 20 0 HDADMO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675304713 1074794325 /nfs/dbraw/zinc/79/43/25/1074794325.db2.gz KRYVTTBYBSPGEN-BFYDXBDKSA-N 1 1 404.898 1.305 20 0 HDADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000429331734 1074796402 /nfs/dbraw/zinc/79/64/02/1074796402.db2.gz LCZUPLCSOIRIMM-OAQYLSRUSA-N 1 1 407.478 1.763 20 0 HDADMO C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675317515 1074797744 /nfs/dbraw/zinc/79/77/44/1074797744.db2.gz LWHRJBFJZFFQPX-AHRSYUTCSA-N 1 1 402.539 1.998 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1-n1cccn1 ZINC000675310606 1074801456 /nfs/dbraw/zinc/80/14/56/1074801456.db2.gz WYSDLIQEOGMRFG-RBUKOAKNSA-N 1 1 412.538 1.639 20 0 HDADMO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000675325520 1074807370 /nfs/dbraw/zinc/80/73/70/1074807370.db2.gz JPSARSAZPHRUQB-UHFFFAOYSA-N 1 1 401.488 1.794 20 0 HDADMO Cc1cc(NC(=O)CC[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)no1 ZINC000495490206 1075096469 /nfs/dbraw/zinc/09/64/69/1075096469.db2.gz DGHXJUBHVCFZHY-SFHVURJKSA-N 1 1 405.886 1.809 20 0 HDADMO C[C@H](CNC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000670513303 1075116390 /nfs/dbraw/zinc/11/63/90/1075116390.db2.gz NDVCRFYTEGHPMQ-CQSZACIVSA-N 1 1 401.429 1.449 20 0 HDADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000670524810 1075143715 /nfs/dbraw/zinc/14/37/15/1075143715.db2.gz FLFMWTASIPNGII-INIZCTEOSA-N 1 1 412.481 1.769 20 0 HDADMO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675433508 1075144272 /nfs/dbraw/zinc/14/42/72/1075144272.db2.gz UQTHVIKLYVZHFE-IGCXYCKISA-N 1 1 422.888 1.444 20 0 HDADMO COCCCn1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000441129380 1075146279 /nfs/dbraw/zinc/14/62/79/1075146279.db2.gz WQZRHKZFVYRGST-MSOLQXFVSA-N 1 1 413.522 1.980 20 0 HDADMO COCCCn1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000441129380 1075146283 /nfs/dbraw/zinc/14/62/83/1075146283.db2.gz WQZRHKZFVYRGST-MSOLQXFVSA-N 1 1 413.522 1.980 20 0 HDADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOCC2(CCCC2)C1 ZINC000670526874 1075148969 /nfs/dbraw/zinc/14/89/69/1075148969.db2.gz BPAOTXGHCCJUPA-UHFFFAOYSA-N 1 1 407.555 1.557 20 0 HDADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000675458058 1075156659 /nfs/dbraw/zinc/15/66/59/1075156659.db2.gz BWEBAUWJBAHQTF-INIZCTEOSA-N 1 1 409.483 1.983 20 0 HDADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000675458058 1075156662 /nfs/dbraw/zinc/15/66/62/1075156662.db2.gz BWEBAUWJBAHQTF-INIZCTEOSA-N 1 1 409.483 1.983 20 0 HDADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000485860022 1075157895 /nfs/dbraw/zinc/15/78/95/1075157895.db2.gz BHPUOSDYXRIDPG-FRRDWIJNSA-N 1 1 409.478 1.149 20 0 HDADMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000144182069 1075164569 /nfs/dbraw/zinc/16/45/69/1075164569.db2.gz JRCNHHWKHMBLIW-IAGOWNOFSA-N 1 1 412.534 1.916 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000429351680 1075168074 /nfs/dbraw/zinc/16/80/74/1075168074.db2.gz GBHGQIDAYWTASQ-OAHLLOKOSA-N 1 1 416.478 1.436 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000429351680 1075168076 /nfs/dbraw/zinc/16/80/76/1075168076.db2.gz GBHGQIDAYWTASQ-OAHLLOKOSA-N 1 1 416.478 1.436 20 0 HDADMO COC[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000675477463 1075168214 /nfs/dbraw/zinc/16/82/14/1075168214.db2.gz ZBWJIHABTQHOCY-SFHVURJKSA-N 1 1 409.914 1.467 20 0 HDADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000490501260 1075171357 /nfs/dbraw/zinc/17/13/57/1075171357.db2.gz RIUHKLPGOAZXAM-AWEZNQCLSA-N 1 1 405.886 1.691 20 0 HDADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)C1 ZINC000440070143 1075171773 /nfs/dbraw/zinc/17/17/73/1075171773.db2.gz JEDNZFYLDCTQRG-HNNXBMFYSA-N 1 1 405.886 1.610 20 0 HDADMO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473000689 1075174710 /nfs/dbraw/zinc/17/47/10/1075174710.db2.gz NQUWBPVHIHKSLP-IYBDPMFKSA-N 1 1 421.423 1.974 20 0 HDADMO O=C(C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)Nc1cc(-n2cnnn2)ccc1F ZINC000675491654 1075176309 /nfs/dbraw/zinc/17/63/09/1075176309.db2.gz SRGKYGATZOCBRK-IYBDPMFKSA-N 1 1 407.453 1.808 20 0 HDADMO O=C(C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)Nc1cc(-n2cnnn2)ccc1F ZINC000675491654 1075176313 /nfs/dbraw/zinc/17/63/13/1075176313.db2.gz SRGKYGATZOCBRK-IYBDPMFKSA-N 1 1 407.453 1.808 20 0 HDADMO CN(C)C(=O)CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675535684 1075193807 /nfs/dbraw/zinc/19/38/07/1075193807.db2.gz JZGDDQFNMANYLA-OAQYLSRUSA-N 1 1 415.582 1.704 20 0 HDADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466684764 1075195329 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C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676259575 1075457005 /nfs/dbraw/zinc/45/70/05/1075457005.db2.gz XLKSDPWSDUQYKC-KSSFIOAISA-N 1 1 407.492 1.207 20 0 HDADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676259246 1075457840 /nfs/dbraw/zinc/45/78/40/1075457840.db2.gz SBJXZKNTHADCCC-PFRQMTDMSA-N 1 1 423.579 1.802 20 0 HDADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676259246 1075457843 /nfs/dbraw/zinc/45/78/43/1075457843.db2.gz SBJXZKNTHADCCC-PFRQMTDMSA-N 1 1 423.579 1.802 20 0 HDADMO CCCC[N@@H+](C)CC1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429410400 1075458010 /nfs/dbraw/zinc/45/80/10/1075458010.db2.gz TUWCJLLXZDIDBF-UHFFFAOYSA-N 1 1 416.526 2.353 20 0 HDADMO C[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676260809 1075458225 /nfs/dbraw/zinc/45/82/25/1075458225.db2.gz HWPUFXUUUMZLMT-ANZKDXPISA-N 1 1 408.543 1.349 20 0 HDADMO 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C[C@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278996 1075479146 /nfs/dbraw/zinc/47/91/46/1075479146.db2.gz LFKLLHHMRUXTLQ-KXBFYZLASA-N 1 1 407.474 1.775 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278854 1075480205 /nfs/dbraw/zinc/48/02/05/1075480205.db2.gz LFXIZZSBEJAHIA-BXWFABGCSA-N 1 1 416.522 1.475 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278854 1075480207 /nfs/dbraw/zinc/48/02/07/1075480207.db2.gz LFXIZZSBEJAHIA-BXWFABGCSA-N 1 1 416.522 1.475 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676278495 1075481015 /nfs/dbraw/zinc/48/10/15/1075481015.db2.gz IVCGQPLLYVVREI-CXAGYDPISA-N 1 1 422.913 1.350 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278495 1075481016 /nfs/dbraw/zinc/48/10/16/1075481016.db2.gz IVCGQPLLYVVREI-CXAGYDPISA-N 1 1 422.913 1.350 20 0 HDADMO 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CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000676279495 1075483954 /nfs/dbraw/zinc/48/39/54/1075483954.db2.gz OLNRSTMJDRSZTQ-GUYCJALGSA-N 1 1 424.929 1.594 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280216 1075485010 /nfs/dbraw/zinc/48/50/10/1075485010.db2.gz IITYTBSGRXWIGV-DYVFJYSZSA-N 1 1 413.503 1.837 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280216 1075485016 /nfs/dbraw/zinc/48/50/16/1075485016.db2.gz IITYTBSGRXWIGV-DYVFJYSZSA-N 1 1 413.503 1.837 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676282262 1075489708 /nfs/dbraw/zinc/48/97/08/1075489708.db2.gz ZTHDGWKNMRJHKB-KXBFYZLASA-N 1 1 416.522 1.979 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676282262 1075489720 /nfs/dbraw/zinc/48/97/20/1075489720.db2.gz ZTHDGWKNMRJHKB-KXBFYZLASA-N 1 1 416.522 1.979 20 0 HDADMO C[NH+](C)CCOc1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccn1 ZINC000509400747 1075489903 /nfs/dbraw/zinc/48/99/03/1075489903.db2.gz CRIDFUSGUNKDAI-UHFFFAOYSA-N 1 1 404.555 1.987 20 0 HDADMO C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000676307352 1075493174 /nfs/dbraw/zinc/49/31/74/1075493174.db2.gz PBJLLPNUAZIIJZ-BZNIZROVSA-N 1 1 401.410 1.877 20 0 HDADMO C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307352 1075493177 /nfs/dbraw/zinc/49/31/77/1075493177.db2.gz PBJLLPNUAZIIJZ-BZNIZROVSA-N 1 1 401.410 1.877 20 0 HDADMO CN(CCCOc1cccc(S(C)(=O)=O)c1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000676309478 1075493664 /nfs/dbraw/zinc/49/36/64/1075493664.db2.gz XIKWGYICTACZAF-UHFFFAOYSA-N 1 1 406.508 1.622 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676296993 1075499733 /nfs/dbraw/zinc/49/97/33/1075499733.db2.gz IPRXDHFTJVKAIZ-UYAOXDASSA-N 1 1 401.555 1.312 20 0 HDADMO C[C@@H](CNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C[NH+]1CCOCC1 ZINC000676302124 1075501429 /nfs/dbraw/zinc/50/14/29/1075501429.db2.gz VCBPZEAJYVZBMI-JTQLQIEISA-N 1 1 414.375 1.530 20 0 HDADMO CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676304055 1075501964 /nfs/dbraw/zinc/50/19/64/1075501964.db2.gz JIKMZHQGPPYOKE-VQIMIIECSA-N 1 1 404.511 1.272 20 0 HDADMO CCOc1ccccc1C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676304055 1075501969 /nfs/dbraw/zinc/50/19/69/1075501969.db2.gz JIKMZHQGPPYOKE-VQIMIIECSA-N 1 1 404.511 1.272 20 0 HDADMO O=C(COc1ccc(F)cc1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676305895 1075503154 /nfs/dbraw/zinc/50/31/54/1075503154.db2.gz FDFWPDHAWGOWJA-UHFFFAOYSA-N 1 1 401.442 1.180 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676305551 1075503490 /nfs/dbraw/zinc/50/34/90/1075503490.db2.gz QHWHZVAYMDZEBF-JGGQBBKZSA-N 1 1 405.417 1.463 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676305551 1075503493 /nfs/dbraw/zinc/50/34/93/1075503493.db2.gz QHWHZVAYMDZEBF-JGGQBBKZSA-N 1 1 405.417 1.463 20 0 HDADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000676310819 1075509030 /nfs/dbraw/zinc/50/90/30/1075509030.db2.gz DOVULYNJJGEQQY-CQSZACIVSA-N 1 1 401.433 1.940 20 0 HDADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000543669886 1075510547 /nfs/dbraw/zinc/51/05/47/1075510547.db2.gz LMFKADVDVGZZRN-VAMGGRTRSA-N 1 1 418.513 1.994 20 0 HDADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754704 1075511839 /nfs/dbraw/zinc/51/18/39/1075511839.db2.gz AHUBOKSWIZLKOA-HUUCEWRRSA-N 1 1 412.487 1.350 20 0 HDADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731755735 1075512455 /nfs/dbraw/zinc/51/24/55/1075512455.db2.gz BIBUZKZAVWLZSI-BBWFWOEESA-N 1 1 402.605 1.161 20 0 HDADMO CN1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)c2)CC1 ZINC000509405277 1075513175 /nfs/dbraw/zinc/51/31/75/1075513175.db2.gz QOYKUXDLWYOENT-NRFANRHFSA-N 1 1 410.518 1.092 20 0 HDADMO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)[NH+](C)C ZINC000605994778 1075515487 /nfs/dbraw/zinc/51/54/87/1075515487.db2.gz OTLIAOWKKPNGRT-GOSISDBHSA-N 1 1 422.489 1.693 20 0 HDADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)oc1C ZINC000574729184 1075515767 /nfs/dbraw/zinc/51/57/67/1075515767.db2.gz OGJXKUGEAIWROG-UHFFFAOYSA-N 1 1 414.510 1.869 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000676347011 1075519536 /nfs/dbraw/zinc/51/95/36/1075519536.db2.gz FXYXDRSNEXJIAQ-QRWLVFNGSA-N 1 1 419.522 1.204 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000676347011 1075519540 /nfs/dbraw/zinc/51/95/40/1075519540.db2.gz FXYXDRSNEXJIAQ-QRWLVFNGSA-N 1 1 419.522 1.204 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676346654 1075519785 /nfs/dbraw/zinc/51/97/85/1075519785.db2.gz DFOKLEPEXKXLQX-XUJVJEKNSA-N 1 1 423.457 1.208 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676346654 1075519787 /nfs/dbraw/zinc/51/97/87/1075519787.db2.gz DFOKLEPEXKXLQX-XUJVJEKNSA-N 1 1 423.457 1.208 20 0 HDADMO C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676346591 1075519860 /nfs/dbraw/zinc/51/98/60/1075519860.db2.gz BHPZEDRYCJPRHU-BLLLJJGKSA-N 1 1 404.492 1.479 20 0 HDADMO C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676346591 1075519865 /nfs/dbraw/zinc/51/98/65/1075519865.db2.gz BHPZEDRYCJPRHU-BLLLJJGKSA-N 1 1 404.492 1.479 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676332377 1075523048 /nfs/dbraw/zinc/52/30/48/1075523048.db2.gz CFDGAGUROGJETM-YSGRDPCXSA-N 1 1 400.523 1.687 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332377 1075523055 /nfs/dbraw/zinc/52/30/55/1075523055.db2.gz CFDGAGUROGJETM-YSGRDPCXSA-N 1 1 400.523 1.687 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1Cl ZINC000731826645 1075524944 /nfs/dbraw/zinc/52/49/44/1075524944.db2.gz HHRUKMKBBJXNRE-AWEZNQCLSA-N 1 1 417.959 1.509 20 0 HDADMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC000731827281 1075525264 /nfs/dbraw/zinc/52/52/64/1075525264.db2.gz WHPHAAJVIFWFJV-QMHKHESXSA-N 1 1 424.501 1.132 20 0 HDADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000731827064 1075525632 /nfs/dbraw/zinc/52/56/32/1075525632.db2.gz RMIOGHDWRKVACK-HNNXBMFYSA-N 1 1 419.551 1.548 20 0 HDADMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCc2cccc(OCCOC)c2)CC1 ZINC000676368296 1075526270 /nfs/dbraw/zinc/52/62/70/1075526270.db2.gz ZGPUWHPHRXVVFL-UHFFFAOYSA-N 1 1 417.510 1.525 20 0 HDADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)C1=O ZINC000731844071 1075529299 /nfs/dbraw/zinc/52/92/99/1075529299.db2.gz IXYFTTIMHJQUBE-FCHUYYIVSA-N 1 1 410.474 1.372 20 0 HDADMO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000731846965 1075531034 /nfs/dbraw/zinc/53/10/34/1075531034.db2.gz DSTFLBNYPPSHQX-GOSISDBHSA-N 1 1 400.523 1.704 20 0 HDADMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000731846965 1075531035 /nfs/dbraw/zinc/53/10/35/1075531035.db2.gz DSTFLBNYPPSHQX-GOSISDBHSA-N 1 1 400.523 1.704 20 0 HDADMO C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000731846874 1075531420 /nfs/dbraw/zinc/53/14/20/1075531420.db2.gz QOLLIAQMVXUNNO-HNNXBMFYSA-N 1 1 407.946 1.938 20 0 HDADMO C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000676358327 1075531832 /nfs/dbraw/zinc/53/18/32/1075531832.db2.gz DITRZPRLIVGJGP-SLYNCCJLSA-N 1 1 402.539 1.427 20 0 HDADMO CCCOc1cccc(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000676359232 1075532207 /nfs/dbraw/zinc/53/22/07/1075532207.db2.gz MNPOQRROBYILLP-HXUWFJFHSA-N 1 1 404.555 1.724 20 0 HDADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000731852322 1075534411 /nfs/dbraw/zinc/53/44/11/1075534411.db2.gz NRIDFZIYLYTZMY-ZFWWWQNUSA-N 1 1 415.943 1.479 20 0 HDADMO C[N@H+]1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 ZINC000731852421 1075534458 /nfs/dbraw/zinc/53/44/58/1075534458.db2.gz PMRXIGQDXVFFOY-CYBMUJFWSA-N 1 1 400.932 1.204 20 0 HDADMO C[N@H+]1CCCN(CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000676379175 1075537760 /nfs/dbraw/zinc/53/77/60/1075537760.db2.gz MVARACZSFUODEW-UHFFFAOYSA-N 1 1 414.547 1.028 20 0 HDADMO CN1CCC[N@H+](CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000676379175 1075537763 /nfs/dbraw/zinc/53/77/63/1075537763.db2.gz MVARACZSFUODEW-UHFFFAOYSA-N 1 1 414.547 1.028 20 0 HDADMO CN1CCC[N@@H+](CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000676379175 1075537766 /nfs/dbraw/zinc/53/77/66/1075537766.db2.gz MVARACZSFUODEW-UHFFFAOYSA-N 1 1 414.547 1.028 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)cc1F ZINC000444502573 1075541882 /nfs/dbraw/zinc/54/18/82/1075541882.db2.gz QBPNTOYRFAQAQF-UHFFFAOYSA-N 1 1 406.368 2.036 20 0 HDADMO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccn1 ZINC000676406840 1075545085 /nfs/dbraw/zinc/54/50/85/1075545085.db2.gz ZGPZQJPQBUNIGG-IEBWSBKVSA-N 1 1 417.554 1.114 20 0 HDADMO CC[C@H](CO)[NH+]1CCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)CC1 ZINC000676408217 1075545091 /nfs/dbraw/zinc/54/50/91/1075545091.db2.gz PCQGKYRIECCTHQ-OAHLLOKOSA-N 1 1 405.524 1.283 20 0 HDADMO C[NH+]1CCN(C(=O)c2ccc(CN3C(=O)N[C@@H](CCOC(C)(C)C)C3=O)cc2)CC1 ZINC000804145409 1075546471 /nfs/dbraw/zinc/54/64/71/1075546471.db2.gz NZNBIJUHXMKNBQ-SFHVURJKSA-N 1 1 416.522 1.700 20 0 HDADMO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)C2=O)cc1 ZINC000731842676 1075546594 /nfs/dbraw/zinc/54/65/94/1075546594.db2.gz IJMWEIAXEXLUQG-OAQYLSRUSA-N 1 1 420.510 1.224 20 0 HDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N(CC(C)(C)O)C3CC3)c2)CC1 ZINC000429434940 1075551085 /nfs/dbraw/zinc/55/10/85/1075551085.db2.gz YFJYHXYOLORMCL-UHFFFAOYSA-N 1 1 424.567 1.780 20 0 HDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N(CC(C)(C)O)C3CC3)c2)CC1 ZINC000429434940 1075551091 /nfs/dbraw/zinc/55/10/91/1075551091.db2.gz YFJYHXYOLORMCL-UHFFFAOYSA-N 1 1 424.567 1.780 20 0 HDADMO CC[N@H+]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000731881859 1075553060 /nfs/dbraw/zinc/55/30/60/1075553060.db2.gz HFXUBJRWEJAWJR-UHFFFAOYSA-N 1 1 418.357 1.867 20 0 HDADMO COc1ccc(C2(CNC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)CCC2)cc1 ZINC000676436703 1075553207 /nfs/dbraw/zinc/55/32/07/1075553207.db2.gz LDCXZLAYRNAKLU-QGZVFWFLSA-N 1 1 417.550 1.537 20 0 HDADMO COc1ccc(C2(CNC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)CCC2)cc1 ZINC000676436703 1075553210 /nfs/dbraw/zinc/55/32/10/1075553210.db2.gz LDCXZLAYRNAKLU-QGZVFWFLSA-N 1 1 417.550 1.537 20 0 HDADMO C[C@@H](c1cc(F)ccc1N1CC[NH+](C)CC1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000804154302 1075555559 /nfs/dbraw/zinc/55/55/59/1075555559.db2.gz RIOJBMQDMXFTPN-GUYCJALGSA-N 1 1 400.458 1.525 20 0 HDADMO O=C(C[N@H+]1CCC[C@H](n2ccnc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676477621 1075560667 /nfs/dbraw/zinc/56/06/67/1075560667.db2.gz JRXMVXWHKUMPDJ-SFHVURJKSA-N 1 1 417.535 1.053 20 0 HDADMO CCn1nc(NC(=O)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1C1CC1 ZINC000469235121 1075569868 /nfs/dbraw/zinc/56/98/68/1075569868.db2.gz ALEDMQHTGZKALO-UHFFFAOYSA-N 1 1 411.510 1.911 20 0 HDADMO COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)O[C@@H](C)C2 ZINC000676501860 1075570638 /nfs/dbraw/zinc/57/06/38/1075570638.db2.gz WBMOZMNTYFZXNL-YJBOKZPZSA-N 1 1 402.539 1.986 20 0 HDADMO COc1cc2c(cc1CNC(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000676501860 1075570646 /nfs/dbraw/zinc/57/06/46/1075570646.db2.gz WBMOZMNTYFZXNL-YJBOKZPZSA-N 1 1 402.539 1.986 20 0 HDADMO CCOC(=O)C[NH+]1CCC(COC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000731918941 1075571547 /nfs/dbraw/zinc/57/15/47/1075571547.db2.gz AZRNAVNOTHOLOG-UHFFFAOYSA-N 1 1 424.519 1.658 20 0 HDADMO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CCO2 ZINC000676522961 1075574341 /nfs/dbraw/zinc/57/43/41/1075574341.db2.gz SKHWHSJRLMZPOM-QAPCUYQASA-N 1 1 419.522 1.329 20 0 HDADMO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CCO2 ZINC000676522961 1075574344 /nfs/dbraw/zinc/57/43/44/1075574344.db2.gz SKHWHSJRLMZPOM-QAPCUYQASA-N 1 1 419.522 1.329 20 0 HDADMO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@H]3C[N@@H+](C)CC[C@@H]31)CCO2 ZINC000676513594 1075575008 /nfs/dbraw/zinc/57/50/08/1075575008.db2.gz QHNNUPMRIPZZMJ-IPELMVKDSA-N 1 1 401.507 1.968 20 0 HDADMO COC(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000731976471 1075581698 /nfs/dbraw/zinc/58/16/98/1075581698.db2.gz YHVJXGZTEMMNJM-KRWDZBQOSA-N 1 1 404.467 1.517 20 0 HDADMO CN1CCCc2cc(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 ZINC000731979687 1075582267 /nfs/dbraw/zinc/58/22/67/1075582267.db2.gz LFUDPORIRIVYME-FQEVSTJZSA-N 1 1 400.523 1.721 20 0 HDADMO CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000676550537 1075583157 /nfs/dbraw/zinc/58/31/57/1075583157.db2.gz KVCSWCONTDUMKP-ROUUACIJSA-N 1 1 404.559 1.667 20 0 HDADMO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1=O ZINC000732002540 1075584453 /nfs/dbraw/zinc/58/44/53/1075584453.db2.gz UQCBZLKNEYIQDT-KRWDZBQOSA-N 1 1 408.502 1.820 20 0 HDADMO CN(C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439589841 1075585606 /nfs/dbraw/zinc/58/56/06/1075585606.db2.gz QTBNVMWPVAVFNS-CYBMUJFWSA-N 1 1 422.411 1.920 20 0 HDADMO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676556476 1075588536 /nfs/dbraw/zinc/58/85/36/1075588536.db2.gz RRXPSJBPWKCVHF-UZLBHIALSA-N 1 1 408.506 1.740 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000509423111 1075589638 /nfs/dbraw/zinc/58/96/38/1075589638.db2.gz DSCGPQOCNYWABP-OAHLLOKOSA-N 1 1 415.581 1.480 20 0 HDADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2nnc(/C=C\c3ccco3)s2)CC1 ZINC000486938442 1075591063 /nfs/dbraw/zinc/59/10/63/1075591063.db2.gz CHDVPBALFSBJCP-WAYWQWQTSA-N 1 1 404.496 1.929 20 0 HDADMO CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732033108 1075592144 /nfs/dbraw/zinc/59/21/44/1075592144.db2.gz AYTZDKHKOIKYBT-OAHLLOKOSA-N 1 1 411.499 1.155 20 0 HDADMO Cc1nccn1-c1ncccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000732058519 1075597024 /nfs/dbraw/zinc/59/70/24/1075597024.db2.gz AWTVLAIHBPRJPE-GOSISDBHSA-N 1 1 412.494 1.228 20 0 HDADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000732061873 1075598311 /nfs/dbraw/zinc/59/83/11/1075598311.db2.gz PDGFGMMMGURUBR-UHFFFAOYSA-N 1 1 405.505 1.818 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC3(OC)CCOCC3)C2)cc(OC)c1 ZINC000676574101 1075599610 /nfs/dbraw/zinc/59/96/10/1075599610.db2.gz GVOBHPLUBYHHHD-KRWDZBQOSA-N 1 1 407.511 1.773 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC3(OC)CCOCC3)C2)cc(OC)c1 ZINC000676574101 1075599616 /nfs/dbraw/zinc/59/96/16/1075599616.db2.gz GVOBHPLUBYHHHD-KRWDZBQOSA-N 1 1 407.511 1.773 20 0 HDADMO C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1nc2ccccc2s1 ZINC000804171210 1075602189 /nfs/dbraw/zinc/60/21/89/1075602189.db2.gz FAWFUUGHMVGBOK-KBPBESRZSA-N 1 1 404.536 1.777 20 0 HDADMO C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1nc2ccccc2s1 ZINC000804171210 1075602190 /nfs/dbraw/zinc/60/21/90/1075602190.db2.gz FAWFUUGHMVGBOK-KBPBESRZSA-N 1 1 404.536 1.777 20 0 HDADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000484150327 1075603638 /nfs/dbraw/zinc/60/36/38/1075603638.db2.gz YAKBFINFFJJABW-CQSZACIVSA-N 1 1 404.902 1.766 20 0 HDADMO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)[NH+]2CCCC2)o1 ZINC000804176286 1075603646 /nfs/dbraw/zinc/60/36/46/1075603646.db2.gz JFBDESQFHZWLHG-IAGOWNOFSA-N 1 1 405.495 1.643 20 0 HDADMO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000804178673 1075606127 /nfs/dbraw/zinc/60/61/27/1075606127.db2.gz UYADVOSEADWDJY-GOSISDBHSA-N 1 1 418.538 1.608 20 0 HDADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC[N@H+](C2CCC2)C1 ZINC000645675208 1075609010 /nfs/dbraw/zinc/60/90/10/1075609010.db2.gz SYBRTULEGOCQGA-AWEZNQCLSA-N 1 1 400.458 1.678 20 0 HDADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000441083882 1075609115 /nfs/dbraw/zinc/60/91/15/1075609115.db2.gz HTLJLGSALIPPQU-CABCVRRESA-N 1 1 423.439 2.505 20 0 HDADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000441083882 1075609119 /nfs/dbraw/zinc/60/91/19/1075609119.db2.gz HTLJLGSALIPPQU-CABCVRRESA-N 1 1 423.439 2.505 20 0 HDADMO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)[NH+]2CCCC2)o1 ZINC000804179215 1075609984 /nfs/dbraw/zinc/60/99/84/1075609984.db2.gz XTWJOFIFTRILSW-WBVHZDCISA-N 1 1 407.511 1.747 20 0 HDADMO CC(C)(CO)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000676606291 1075611191 /nfs/dbraw/zinc/61/11/91/1075611191.db2.gz KCALCCYBODTKLB-SFTDATJTSA-N 1 1 418.582 1.494 20 0 HDADMO C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000804180737 1075611469 /nfs/dbraw/zinc/61/14/69/1075611469.db2.gz UANFUYDPVIEXKL-HOTGVXAUSA-N 1 1 410.559 1.739 20 0 HDADMO C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000676594449 1075612512 /nfs/dbraw/zinc/61/25/12/1075612512.db2.gz UCTTXBMMIVLASX-MSOLQXFVSA-N 1 1 417.554 1.522 20 0 HDADMO Cn1ccc(NC(=O)Cc2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)n1 ZINC000569050385 1075612551 /nfs/dbraw/zinc/61/25/51/1075612551.db2.gz ANXIMIKAXYCEKS-VGOFRKELSA-N 1 1 406.490 2.538 20 0 HDADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000676618042 1075617875 /nfs/dbraw/zinc/61/78/75/1075617875.db2.gz NMSSYCJBLLWLRR-OAHLLOKOSA-N 1 1 409.437 1.723 20 0 HDADMO CN(C)c1nc(N)nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000576969785 1075619332 /nfs/dbraw/zinc/61/93/32/1075619332.db2.gz SBIMZDZKRHMDSN-UHFFFAOYSA-N 1 1 417.517 2.067 20 0 HDADMO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000732091047 1075625713 /nfs/dbraw/zinc/62/57/13/1075625713.db2.gz ZBYKECKWFMFVFN-CRAIPNDOSA-N 1 1 400.483 1.667 20 0 HDADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000732091047 1075625717 /nfs/dbraw/zinc/62/57/17/1075625717.db2.gz ZBYKECKWFMFVFN-CRAIPNDOSA-N 1 1 400.483 1.667 20 0 HDADMO COc1cccc(CCCNC(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1 ZINC000443424272 1075633171 /nfs/dbraw/zinc/63/31/71/1075633171.db2.gz GGBBAHYVSXOULS-QGZVFWFLSA-N 1 1 414.510 1.622 20 0 HDADMO COc1cccc(CCCNC(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1 ZINC000443424272 1075633175 /nfs/dbraw/zinc/63/31/75/1075633175.db2.gz GGBBAHYVSXOULS-QGZVFWFLSA-N 1 1 414.510 1.622 20 0 HDADMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1 ZINC000508545753 1075635764 /nfs/dbraw/zinc/63/57/64/1075635764.db2.gz QDYXJPMLDNYPRB-OAHLLOKOSA-N 1 1 423.521 1.780 20 0 HDADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCc3nc(N)n[nH]3)c2c1C ZINC000590567620 1075648173 /nfs/dbraw/zinc/64/81/73/1075648173.db2.gz CUOKLAFTSPBIAQ-UHFFFAOYSA-N 1 1 404.500 1.593 20 0 HDADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000732149872 1075649429 /nfs/dbraw/zinc/64/94/29/1075649429.db2.gz SLIGJUCGZHSULF-RBSFLKMASA-N 1 1 404.511 1.274 20 0 HDADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000732150154 1075650625 /nfs/dbraw/zinc/65/06/25/1075650625.db2.gz YVKXZCGAXXALLG-MJGOQNOKSA-N 1 1 415.538 1.325 20 0 HDADMO C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O ZINC000732190146 1075655859 /nfs/dbraw/zinc/65/58/59/1075655859.db2.gz IJBBXALISWSYRU-SJLPKXTDSA-N 1 1 412.490 1.830 20 0 HDADMO C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O ZINC000732190146 1075655863 /nfs/dbraw/zinc/65/58/63/1075655863.db2.gz IJBBXALISWSYRU-SJLPKXTDSA-N 1 1 412.490 1.830 20 0 HDADMO O=C([C@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1)N1CCCC1 ZINC000732191960 1075655915 /nfs/dbraw/zinc/65/59/15/1075655915.db2.gz VJSNMDCPOUGLQB-HNNXBMFYSA-N 1 1 418.519 1.373 20 0 HDADMO O=C([C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1)N1CCCC1 ZINC000732191960 1075655917 /nfs/dbraw/zinc/65/59/17/1075655917.db2.gz VJSNMDCPOUGLQB-HNNXBMFYSA-N 1 1 418.519 1.373 20 0 HDADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676729499 1075662582 /nfs/dbraw/zinc/66/25/82/1075662582.db2.gz HYOVSYNCBDDFNE-FUHWJXTLSA-N 1 1 400.523 1.140 20 0 HDADMO CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000732207254 1075665464 /nfs/dbraw/zinc/66/54/64/1075665464.db2.gz NYQCXLMBFOGBOX-HZPDHXFCSA-N 1 1 412.490 1.995 20 0 HDADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000509432052 1075668239 /nfs/dbraw/zinc/66/82/39/1075668239.db2.gz PCJBTXXGFSCISF-RYUDHWBXSA-N 1 1 410.540 1.556 20 0 HDADMO CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732214746 1075669909 /nfs/dbraw/zinc/66/99/09/1075669909.db2.gz VKJGAGJTZXBOMR-PGRDOPGGSA-N 1 1 413.522 1.129 20 0 HDADMO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000732218189 1075672917 /nfs/dbraw/zinc/67/29/17/1075672917.db2.gz XISSESVAGDABMU-UHFFFAOYSA-N 1 1 406.508 1.710 20 0 HDADMO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000732218189 1075672920 /nfs/dbraw/zinc/67/29/20/1075672920.db2.gz XISSESVAGDABMU-UHFFFAOYSA-N 1 1 406.508 1.710 20 0 HDADMO CN(Cc1nc(N)nc(Nc2ccc(F)cc2)n1)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639919 1075673407 /nfs/dbraw/zinc/67/34/07/1075673407.db2.gz HOKNDHDZVWLJIL-UHFFFAOYSA-N 1 1 403.506 2.127 20 0 HDADMO CC(C)N1CC[C@@H]([N@@H+](C)CCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC001036603422 1075673781 /nfs/dbraw/zinc/67/37/81/1075673781.db2.gz JWBSXRCMDAVTKZ-ZPLOVTKXSA-N 1 1 403.567 1.980 20 0 HDADMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000507208648 1075677105 /nfs/dbraw/zinc/67/71/05/1075677105.db2.gz IHDHHSKWBHPIQU-FQEVSTJZSA-N 1 1 409.490 1.971 20 0 HDADMO C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000429464253 1075678553 /nfs/dbraw/zinc/67/85/53/1075678553.db2.gz DPTVLQHXOXBPEP-RBUKOAKNSA-N 1 1 415.582 1.609 20 0 HDADMO C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000429464253 1075678555 /nfs/dbraw/zinc/67/85/55/1075678555.db2.gz DPTVLQHXOXBPEP-RBUKOAKNSA-N 1 1 415.582 1.609 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(Br)cc2F)C1 ZINC000732246610 1075679429 /nfs/dbraw/zinc/67/94/29/1075679429.db2.gz VVSHSDOZJSLJGS-ZDUSSCGKSA-N 1 1 415.307 1.975 20 0 HDADMO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCS(=O)(=O)NC[C@H]3CCCCO3)cc12 ZINC000732231421 1075684702 /nfs/dbraw/zinc/68/47/02/1075684702.db2.gz VKEKKHFNXMZPNY-CQSZACIVSA-N 1 1 415.947 1.508 20 0 HDADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000425996168 1075686169 /nfs/dbraw/zinc/68/61/69/1075686169.db2.gz OJAWWVAHBJFTCT-GOEBONIOSA-N 1 1 401.540 1.787 20 0 HDADMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426155102 1075690354 /nfs/dbraw/zinc/69/03/54/1075690354.db2.gz VTDNGNJYPHOXOQ-NWDGAFQWSA-N 1 1 409.416 1.681 20 0 HDADMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426155102 1075690358 /nfs/dbraw/zinc/69/03/58/1075690358.db2.gz VTDNGNJYPHOXOQ-NWDGAFQWSA-N 1 1 409.416 1.681 20 0 HDADMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426155103 1075690664 /nfs/dbraw/zinc/69/06/64/1075690664.db2.gz VTDNGNJYPHOXOQ-RYUDHWBXSA-N 1 1 409.416 1.681 20 0 HDADMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426155103 1075690668 /nfs/dbraw/zinc/69/06/68/1075690668.db2.gz VTDNGNJYPHOXOQ-RYUDHWBXSA-N 1 1 409.416 1.681 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000804216971 1075691351 /nfs/dbraw/zinc/69/13/51/1075691351.db2.gz RKYGXZAPWXVZQS-ULQDDVLXSA-N 1 1 412.575 1.985 20 0 HDADMO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@H]3C)C1)CC2 ZINC000429464646 1075692570 /nfs/dbraw/zinc/69/25/70/1075692570.db2.gz BBLGPCBDFHFCDC-ZTFGCOKTSA-N 1 1 416.522 1.370 20 0 HDADMO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@H]3C)C1)CC2 ZINC000429464646 1075692576 /nfs/dbraw/zinc/69/25/76/1075692576.db2.gz BBLGPCBDFHFCDC-ZTFGCOKTSA-N 1 1 416.522 1.370 20 0 HDADMO CCn1nccc1N1CCC[C@@H](Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1=O ZINC000477953046 1075694558 /nfs/dbraw/zinc/69/45/58/1075694558.db2.gz ADJZDSZKFFFSEK-CYBMUJFWSA-N 1 1 411.466 1.475 20 0 HDADMO COc1ncccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21 ZINC001084995959 1075695079 /nfs/dbraw/zinc/69/50/79/1075695079.db2.gz JSLRZWDRTBJTQB-QDGKJQRMSA-N 1 1 401.507 1.565 20 0 HDADMO COc1ncccc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21 ZINC001084995959 1075695080 /nfs/dbraw/zinc/69/50/80/1075695080.db2.gz JSLRZWDRTBJTQB-QDGKJQRMSA-N 1 1 401.507 1.565 20 0 HDADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000509438158 1075695371 /nfs/dbraw/zinc/69/53/71/1075695371.db2.gz LUHYRESHHOXHTD-AZUAARDMSA-N 1 1 418.607 1.913 20 0 HDADMO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@H]2C1 ZINC001084996526 1075696347 /nfs/dbraw/zinc/69/63/47/1075696347.db2.gz MGXRUANOPOEFJO-LLVBAIKDSA-N 1 1 400.519 1.653 20 0 HDADMO COc1coc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)cc1=O ZINC001084992431 1075697109 /nfs/dbraw/zinc/69/71/09/1075697109.db2.gz ZJUGUFQQSTYCSU-QDVSPLAXSA-N 1 1 402.491 1.886 20 0 HDADMO COc1coc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)cc1=O ZINC001084992431 1075697111 /nfs/dbraw/zinc/69/71/11/1075697111.db2.gz ZJUGUFQQSTYCSU-QDVSPLAXSA-N 1 1 402.491 1.886 20 0 HDADMO Cn1nnc2cc(C[N@H+]3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc21 ZINC001084992707 1075697867 /nfs/dbraw/zinc/69/78/67/1075697867.db2.gz OLBSYISINCKSFJ-JNYIRXQFSA-N 1 1 407.518 1.815 20 0 HDADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1 ZINC001084992531 1075697875 /nfs/dbraw/zinc/69/78/75/1075697875.db2.gz FPKLVTFBMVTJQK-GCNBINEPSA-N 1 1 408.564 1.157 20 0 HDADMO COc1cc2[nH+]c(NCCNC(=O)c3c(F)cccc3F)nc(N)c2cc1OC ZINC000496902097 1075702165 /nfs/dbraw/zinc/70/21/65/1075702165.db2.gz ZRUJJSRDLUYTQP-UHFFFAOYSA-N 1 1 403.389 1.771 20 0 HDADMO COc1cc2[nH+]c(NCCCS(=O)(=O)c3ccccc3)nc(N)c2cc1OC ZINC000517649951 1075702227 /nfs/dbraw/zinc/70/22/27/1075702227.db2.gz SZJSHQOTCVQKQY-UHFFFAOYSA-N 1 1 402.476 1.927 20 0 HDADMO CCCCn1c(N)c(N(C(=O)C[N@@H+](C)C(C)(C)COC)C2CCCC2)c(=O)[nH]c1=O ZINC000429258230 1075703037 /nfs/dbraw/zinc/70/30/37/1075703037.db2.gz GPEBXWZSUTWNOQ-UHFFFAOYSA-N 1 1 423.558 1.964 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@H](C)O1 ZINC000732324898 1075703805 /nfs/dbraw/zinc/70/38/05/1075703805.db2.gz FPGCFTXWOATKRO-YRNRMSPPSA-N 1 1 412.490 1.992 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)C[C@H](C)O1 ZINC000732324898 1075703808 /nfs/dbraw/zinc/70/38/08/1075703808.db2.gz FPGCFTXWOATKRO-YRNRMSPPSA-N 1 1 412.490 1.992 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444657095 1075704411 /nfs/dbraw/zinc/70/44/11/1075704411.db2.gz JEKZFJAQDOWQEZ-OAHLLOKOSA-N 1 1 405.449 2.210 20 0 HDADMO CCC[C@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC[N@H+]1CCOC ZINC000501586826 1075706252 /nfs/dbraw/zinc/70/62/52/1075706252.db2.gz CWXNVHFLBUOEHP-INIZCTEOSA-N 1 1 403.531 1.215 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000467478466 1075715132 /nfs/dbraw/zinc/71/51/32/1075715132.db2.gz ORSPFCINYPKCBE-UYAOXDASSA-N 1 1 412.538 2.000 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CCO)Cc1ccccc1 ZINC000509438825 1075715397 /nfs/dbraw/zinc/71/53/97/1075715397.db2.gz CPPGLISRWSWAQW-HXUWFJFHSA-N 1 1 424.545 1.334 20 0 HDADMO CC(=O)N1CCC(CNc2nc(NCC3CCN(C(C)=O)CC3)c(C)c[nH+]2)CC1 ZINC000444075602 1075717045 /nfs/dbraw/zinc/71/70/45/1075717045.db2.gz KLKNBFVLKAFQGX-UHFFFAOYSA-N 1 1 402.543 2.126 20 0 HDADMO Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000555938574 1075719230 /nfs/dbraw/zinc/71/92/30/1075719230.db2.gz QYULPRKOPVENHT-ZFWWWQNUSA-N 1 1 424.427 1.972 20 0 HDADMO CCCNC(=O)CCC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000732353569 1075720530 /nfs/dbraw/zinc/72/05/30/1075720530.db2.gz XZUKMVPEMVZVQX-UHFFFAOYSA-N 1 1 403.523 1.879 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000559650016 1075722940 /nfs/dbraw/zinc/72/29/40/1075722940.db2.gz JFJQWWPQFYEQNN-TZMCWYRMSA-N 1 1 420.311 2.172 20 0 HDADMO Nc1nccc([C@H]2CCC[N@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)n1 ZINC000558737728 1075726380 /nfs/dbraw/zinc/72/63/80/1075726380.db2.gz GJXDHWYNFNVEMA-SFHVURJKSA-N 1 1 409.534 2.103 20 0 HDADMO Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)n1 ZINC000558737728 1075726387 /nfs/dbraw/zinc/72/63/87/1075726387.db2.gz GJXDHWYNFNVEMA-SFHVURJKSA-N 1 1 409.534 2.103 20 0 HDADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258568 1075731055 /nfs/dbraw/zinc/73/10/55/1075731055.db2.gz MXIAWKKWWIJQAT-HOTGVXAUSA-N 1 1 414.597 1.742 20 0 HDADMO COC(=O)c1cc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)ccc1F ZINC000732422638 1075733978 /nfs/dbraw/zinc/73/39/78/1075733978.db2.gz QTSNYAXPRAABGY-UHFFFAOYSA-N 1 1 416.457 1.736 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(CCCO)CC1 ZINC000509442533 1075737095 /nfs/dbraw/zinc/73/70/95/1075737095.db2.gz QIUOKSKKJSZOIL-LJQANCHMSA-N 1 1 416.566 1.324 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000509443148 1075738804 /nfs/dbraw/zinc/73/88/04/1075738804.db2.gz XQRAMSBAVZVPQK-PMXSJFBMSA-N 1 1 414.550 1.387 20 0 HDADMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732413447 1075739032 /nfs/dbraw/zinc/73/90/32/1075739032.db2.gz VNNTVDOXNFKQRK-KRWDZBQOSA-N 1 1 420.579 1.690 20 0 HDADMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732413447 1075739037 /nfs/dbraw/zinc/73/90/37/1075739037.db2.gz VNNTVDOXNFKQRK-KRWDZBQOSA-N 1 1 420.579 1.690 20 0 HDADMO Cc1cc(CNC(=O)N2CCN(c3nc(N)ns3)CC2)cc(N2CCCC2)[nH+]1 ZINC000462269087 1075739550 /nfs/dbraw/zinc/73/95/50/1075739550.db2.gz JBUOFGJYUJYCJX-UHFFFAOYSA-N 1 1 402.528 1.456 20 0 HDADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000732443892 1075746085 /nfs/dbraw/zinc/74/60/85/1075746085.db2.gz FNLSPFFHWIIFFR-IBGZPJMESA-N 1 1 416.522 1.511 20 0 HDADMO COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000429269552 1075752277 /nfs/dbraw/zinc/75/22/77/1075752277.db2.gz VTNLJGCZLXRAKD-UHFFFAOYSA-N 1 1 423.988 1.591 20 0 HDADMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000732464517 1075752925 /nfs/dbraw/zinc/75/29/25/1075752925.db2.gz WOHZKQVWGMSMID-NVXWUHKLSA-N 1 1 407.534 1.393 20 0 HDADMO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429268792 1075753911 /nfs/dbraw/zinc/75/39/11/1075753911.db2.gz DGALUMBTNOXCFS-LEWJYISDSA-N 1 1 411.502 1.963 20 0 HDADMO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429268792 1075753913 /nfs/dbraw/zinc/75/39/13/1075753913.db2.gz DGALUMBTNOXCFS-LEWJYISDSA-N 1 1 411.502 1.963 20 0 HDADMO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429268794 1075754349 /nfs/dbraw/zinc/75/43/49/1075754349.db2.gz DGALUMBTNOXCFS-RTWAWAEBSA-N 1 1 411.502 1.963 20 0 HDADMO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429268794 1075754353 /nfs/dbraw/zinc/75/43/53/1075754353.db2.gz DGALUMBTNOXCFS-RTWAWAEBSA-N 1 1 411.502 1.963 20 0 HDADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000592496513 1075754696 /nfs/dbraw/zinc/75/46/96/1075754696.db2.gz KUVRQBVHENHVAC-CQSZACIVSA-N 1 1 402.465 1.838 20 0 HDADMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497967049 1075755700 /nfs/dbraw/zinc/75/57/00/1075755700.db2.gz ZATOOUGWPJXUEE-KDOFPFPSSA-N 1 1 407.522 1.893 20 0 HDADMO C[C@H](CNc1cc(NC[C@H](C)c2nncn2C)[nH+]c2cnccc12)c1nncn1C ZINC000557657033 1075757971 /nfs/dbraw/zinc/75/79/71/1075757971.db2.gz FKXBPNVAVLGVMF-KGLIPLIRSA-N 1 1 406.498 2.318 20 0 HDADMO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000732479971 1075758455 /nfs/dbraw/zinc/75/84/55/1075758455.db2.gz CIRVQVKFUKZGDG-QGZVFWFLSA-N 1 1 423.517 1.198 20 0 HDADMO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462185958 1075764457 /nfs/dbraw/zinc/76/44/57/1075764457.db2.gz IRTXQVXPTOKTNM-IFXJQAMLSA-N 1 1 407.522 1.893 20 0 HDADMO CC(C)(C)Oc1nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ncc1Br 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Cc1cc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C(=O)NC2=O ZINC001164751057 720845069 /nfs/dbraw/zinc/84/50/69/720845069.db2.gz XZJIDYZLUDJLKC-LZLYRXPVSA-N 1 1 421.505 1.245 20 0 HDADMO CCn1cnc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746613 720847877 /nfs/dbraw/zinc/84/78/77/720847877.db2.gz PNFDKWOHOCMGFH-RCCFBDPRSA-N 1 1 407.526 1.817 20 0 HDADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164850289 720850666 /nfs/dbraw/zinc/85/06/66/720850666.db2.gz FDLKURJEOIZWLO-LSDHHAIUSA-N 1 1 412.918 1.409 20 0 HDADMO Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743805 720855038 /nfs/dbraw/zinc/85/50/38/720855038.db2.gz AALQGBODSAVECD-CEXWTWQISA-N 1 1 420.525 1.337 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@H]2C1 ZINC001164859042 720865671 /nfs/dbraw/zinc/86/56/71/720865671.db2.gz UDHKMCLTHANYAN-ZWKOTPCHSA-N 1 1 424.567 1.040 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)CC[C@@H]2C1 ZINC001164856818 720871372 /nfs/dbraw/zinc/87/13/72/720871372.db2.gz PNVLRJJWTCPSNE-GDBMZVCRSA-N 1 1 423.945 1.668 20 0 HDADMO NC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753299 720876182 /nfs/dbraw/zinc/87/61/82/720876182.db2.gz OTIOZPQQWZATCE-AUSIDOKSSA-N 1 1 422.533 1.726 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@H]2C1 ZINC001164864625 720883285 /nfs/dbraw/zinc/88/32/85/720883285.db2.gz WDYWXIAJHDCAMU-PKOBYXMFSA-N 1 1 424.567 1.040 20 0 HDADMO COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC[C@@H]2C1 ZINC001164864396 720890385 /nfs/dbraw/zinc/89/03/85/720890385.db2.gz VQCYGODOIFOYCZ-VXGBXAGGSA-N 1 1 419.309 1.744 20 0 HDADMO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)cn1 ZINC001164766629 721039024 /nfs/dbraw/zinc/03/90/24/721039024.db2.gz RJNHOCBOUQPNQP-VQTJNVASSA-N 1 1 410.522 1.782 20 0 HDADMO CCOC(=O)c1cnc(OC)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865203 721080822 /nfs/dbraw/zinc/08/08/22/721080822.db2.gz JLYWLEJLQJPPNJ-SJORKVTESA-N 1 1 413.478 1.537 20 0 HDADMO COC(=O)c1nc2cnccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164773931 721152889 /nfs/dbraw/zinc/15/28/89/721152889.db2.gz ZIDWQZQZYPCESR-HOTGVXAUSA-N 1 1 407.478 1.503 20 0 HDADMO COCCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869775 721181145 /nfs/dbraw/zinc/18/11/45/721181145.db2.gz BINPRFFOTGMMLS-UXHICEINSA-N 1 1 412.490 1.760 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(Cl)c5c4N(C)CCO5)C[C@@H]3C2)cn1 ZINC001164772326 721183835 /nfs/dbraw/zinc/18/38/35/721183835.db2.gz SEAQOOZEUDVRGG-CABCVRRESA-N 1 1 403.918 1.650 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@H]3C2)cn1 ZINC001164767547 721203976 /nfs/dbraw/zinc/20/39/76/721203976.db2.gz JZLULYFLXSZXRS-DLBZAZTESA-N 1 1 416.551 1.214 20 0 HDADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2C1 ZINC001164761077 721245294 /nfs/dbraw/zinc/24/52/94/721245294.db2.gz HGEPGJJDKTVMCU-HBFSDRIKSA-N 1 1 424.549 1.836 20 0 HDADMO Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1NC1CC1 ZINC001164871845 721260928 /nfs/dbraw/zinc/26/09/28/721260928.db2.gz ALAAVYFUUMUWFF-UHFFFAOYSA-N 1 1 402.543 1.366 20 0 HDADMO COc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NC(C)C ZINC001164876049 721261548 /nfs/dbraw/zinc/26/15/48/721261548.db2.gz NGNICUQFHFJPRR-UHFFFAOYSA-N 1 1 420.558 1.313 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)C1 ZINC001164869847 721274649 /nfs/dbraw/zinc/27/46/49/721274649.db2.gz PZRTZEKTIWLXRT-GOSISDBHSA-N 1 1 414.909 1.870 20 0 HDADMO COC(=O)c1ccc(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164894636 721387569 /nfs/dbraw/zinc/38/75/69/721387569.db2.gz ZKTOCGQAJGLCMC-AVRDEDQJSA-N 1 1 402.539 1.942 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C(N)=O)n4)C3)O2)CC1 ZINC001164885575 721387771 /nfs/dbraw/zinc/38/77/71/721387771.db2.gz COIDGRCHOPGLRO-FOIQADDNSA-N 1 1 407.946 1.599 20 0 HDADMO COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1N ZINC001164889842 721399119 /nfs/dbraw/zinc/39/91/19/721399119.db2.gz MPDBRSRTZMGERB-IERDGZPVSA-N 1 1 403.527 1.216 20 0 HDADMO COC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C ZINC001164887668 721404907 /nfs/dbraw/zinc/40/49/07/721404907.db2.gz LZMNFCPDZYAXPN-PGRDOPGGSA-N 1 1 402.539 1.942 20 0 HDADMO CCOC(=O)c1cncc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890942 721408983 /nfs/dbraw/zinc/40/89/83/721408983.db2.gz UMNZFHVTLSXNMK-UTKZUKDTSA-N 1 1 403.527 1.419 20 0 HDADMO CCOC(=O)c1nccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164889469 721411260 /nfs/dbraw/zinc/41/12/60/721411260.db2.gz QWMIXHDLPCRUDW-LAUBAEHRSA-N 1 1 403.527 1.419 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C3)O2)CC1 ZINC001164891343 721414331 /nfs/dbraw/zinc/41/43/31/721414331.db2.gz VKJCIUPGEGFONA-BTYIYWSLSA-N 1 1 419.957 1.995 20 0 HDADMO CN(C)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2nc[nH]c21 ZINC001164886568 721419897 /nfs/dbraw/zinc/41/98/97/721419897.db2.gz JZABIBDIQITRKY-HRAATJIYSA-N 1 1 414.558 1.184 20 0 HDADMO CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888292 721420536 /nfs/dbraw/zinc/42/05/36/721420536.db2.gz NYVVZDODTONKHZ-AVRDEDQJSA-N 1 1 417.602 1.826 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CC5)nn4)C3)O2)CC1 ZINC001164899431 721441592 /nfs/dbraw/zinc/44/15/92/721441592.db2.gz YLPDWOQNPAVPBX-AVRDEDQJSA-N 1 1 414.554 1.134 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(NC(N)=S)cn4)C3)O2)CC1 ZINC001164894243 721443380 /nfs/dbraw/zinc/44/33/80/721443380.db2.gz LDIPFCLYAMMNBJ-FXAWDEMLSA-N 1 1 404.584 1.503 20 0 HDADMO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164898874 721501970 /nfs/dbraw/zinc/50/19/70/721501970.db2.gz VNXNSTDBFWFYIV-SFHVURJKSA-N 1 1 416.570 1.376 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164807291 721565348 /nfs/dbraw/zinc/56/53/48/721565348.db2.gz SNIWRHFDOQXGIW-SBHAEUEKSA-N 1 1 410.522 1.576 20 0 HDADMO COC(=O)c1ncnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164910741 721568076 /nfs/dbraw/zinc/56/80/76/721568076.db2.gz XIILLCZFQKRNPZ-GDBMZVCRSA-N 1 1 402.426 1.753 20 0 HDADMO COC(=O)c1ncnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164910758 721568139 /nfs/dbraw/zinc/56/81/39/721568139.db2.gz XIILLCZFQKRNPZ-ZBFHGGJFSA-N 1 1 402.426 1.753 20 0 HDADMO CCOC(=O)Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nn1 ZINC001164806705 721568333 /nfs/dbraw/zinc/56/83/33/721568333.db2.gz RELMRXIEVUZFQX-IPJJNNNSSA-N 1 1 411.506 1.845 20 0 HDADMO CCOC(=O)Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nn1 ZINC001164806705 721568339 /nfs/dbraw/zinc/56/83/39/721568339.db2.gz RELMRXIEVUZFQX-IPJJNNNSSA-N 1 1 411.506 1.845 20 0 HDADMO CNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806190 721576722 /nfs/dbraw/zinc/57/67/22/721576722.db2.gz PGFGBCFAFBXMHJ-WSTZPKSXSA-N 1 1 417.535 1.253 20 0 HDADMO CNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806190 721576725 /nfs/dbraw/zinc/57/67/25/721576725.db2.gz PGFGBCFAFBXMHJ-WSTZPKSXSA-N 1 1 417.535 1.253 20 0 HDADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@H]21 ZINC001165026686 721828560 /nfs/dbraw/zinc/82/85/60/721828560.db2.gz PGFOJBUSDUYRAZ-USXIJHARSA-N 1 1 402.524 1.256 20 0 HDADMO COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)CC1 ZINC001164926999 721872386 /nfs/dbraw/zinc/87/23/86/721872386.db2.gz UGACTFVMFRFOPB-MSOLQXFVSA-N 1 1 402.543 1.081 20 0 HDADMO COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)CC1 ZINC001164926999 721872387 /nfs/dbraw/zinc/87/23/87/721872387.db2.gz UGACTFVMFRFOPB-MSOLQXFVSA-N 1 1 402.543 1.081 20 0 HDADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1 ZINC001164935108 721881206 /nfs/dbraw/zinc/88/12/06/721881206.db2.gz VZRLUGKHODHHBI-ZWKOTPCHSA-N 1 1 409.600 1.763 20 0 HDADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1 ZINC001164935108 721881208 /nfs/dbraw/zinc/88/12/08/721881208.db2.gz VZRLUGKHODHHBI-ZWKOTPCHSA-N 1 1 409.600 1.763 20 0 HDADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(N)(=O)=O)cn4)CC3)C2)cc1 ZINC001164938911 721924946 /nfs/dbraw/zinc/92/49/46/721924946.db2.gz AWRLLIGZWYSAMM-UHFFFAOYSA-N 1 1 416.547 1.909 20 0 HDADMO O=C1COc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2N1 ZINC001164963156 722056189 /nfs/dbraw/zinc/05/61/89/722056189.db2.gz HSOJCBMAKQDBFY-UHFFFAOYSA-N 1 1 409.490 1.927 20 0 HDADMO CN1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978364 722102096 /nfs/dbraw/zinc/10/20/96/722102096.db2.gz GTATXHBIQMTXIR-NHCUHLMSSA-N 1 1 423.565 1.351 20 0 HDADMO CN1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978364 722102097 /nfs/dbraw/zinc/10/20/97/722102097.db2.gz GTATXHBIQMTXIR-NHCUHLMSSA-N 1 1 423.565 1.351 20 0 HDADMO NC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164980832 722103357 /nfs/dbraw/zinc/10/33/57/722103357.db2.gz KOJJHSXZYBTEBN-WBVHZDCISA-N 1 1 401.898 1.956 20 0 HDADMO NC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981277 722107080 /nfs/dbraw/zinc/10/70/80/722107080.db2.gz KXPCTLHGIXQQDQ-HOCLYGCPSA-N 1 1 402.886 1.351 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983731 722129087 /nfs/dbraw/zinc/12/90/87/722129087.db2.gz ZLDXUQQBQGJYPS-MSOLQXFVSA-N 1 1 417.535 1.112 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(N4CCCCC4)nn2)CC3)CC1 ZINC001164996593 722229187 /nfs/dbraw/zinc/22/91/87/722229187.db2.gz KJILEPFODOXNPO-UHFFFAOYSA-N 1 1 408.554 1.614 20 0 HDADMO COc1cnc(SC)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997117 722230169 /nfs/dbraw/zinc/23/01/69/722230169.db2.gz QFLRCZURCJKXHY-UHFFFAOYSA-N 1 1 401.540 1.354 20 0 HDADMO COC(=O)c1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ccc1Cl ZINC001164997128 722233402 /nfs/dbraw/zinc/23/34/02/722233402.db2.gz LHIUFLHHRYUKBM-UHFFFAOYSA-N 1 1 416.913 1.669 20 0 HDADMO COC(=O)c1nc(Cl)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996656 722234017 /nfs/dbraw/zinc/23/40/17/722234017.db2.gz HSPXSRBKGKTWPS-UHFFFAOYSA-N 1 1 417.901 1.064 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)NC4CC4)cn2)CC3)CC1 ZINC001164997235 722234644 /nfs/dbraw/zinc/23/46/44/722234644.db2.gz OHLBCUUZKBOEDV-UHFFFAOYSA-N 1 1 407.522 1.121 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(N4CCCCC4)ncn2)CC3)CC1 ZINC001165001539 722237268 /nfs/dbraw/zinc/23/72/68/722237268.db2.gz IFLQQYFUFHIOPS-UHFFFAOYSA-N 1 1 408.554 1.614 20 0 HDADMO COC(=O)C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000429046401 1073462441 /nfs/dbraw/zinc/46/24/41/1073462441.db2.gz NJCJXIBVQAOVHM-MOPGFXCFSA-N 1 1 405.495 1.251 20 0 HDADMO CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429047823 1073467481 /nfs/dbraw/zinc/46/74/81/1073467481.db2.gz ZDAPFCLBHIFXLA-JOCHJYFZSA-N 1 1 402.539 1.900 20 0 HDADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4ccsc4[nH]2)C3)O1 ZINC001004561808 1073478234 /nfs/dbraw/zinc/47/82/34/1073478234.db2.gz SNBZJTZODPLEEJ-VONAGELPSA-N 1 1 402.520 1.810 20 0 HDADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4ccsc4[nH]2)C3)O1 ZINC001004561808 1073478238 /nfs/dbraw/zinc/47/82/38/1073478238.db2.gz SNBZJTZODPLEEJ-VONAGELPSA-N 1 1 402.520 1.810 20 0 HDADMO CCOC(=O)[C@@H](C)CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000429057479 1073489162 /nfs/dbraw/zinc/48/91/62/1073489162.db2.gz ADYIUFXFWYCEDF-AWEZNQCLSA-N 1 1 406.483 1.404 20 0 HDADMO Cc1nnc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000509097325 1073521714 /nfs/dbraw/zinc/52/17/14/1073521714.db2.gz JHXUJHGBUMGIMP-OAHLLOKOSA-N 1 1 403.508 1.699 20 0 HDADMO CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000027965984 1073582899 /nfs/dbraw/zinc/58/28/99/1073582899.db2.gz BNRVFQNMQNDDBV-GFCCVEGCSA-N 1 1 405.451 1.045 20 0 HDADMO Cc1ccc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1S(N)(=O)=O ZINC000673655284 1073584178 /nfs/dbraw/zinc/58/41/78/1073584178.db2.gz KIGURUHZGJGNOA-CALCHBBNSA-N 1 1 408.568 1.273 20 0 HDADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429105791 1073591578 /nfs/dbraw/zinc/59/15/78/1073591578.db2.gz VVLIBYUUVSVMGN-ICSRJNTNSA-N 1 1 400.571 1.908 20 0 HDADMO COc1cc(C(=O)N(C)C)ccc1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000429110948 1073608253 /nfs/dbraw/zinc/60/82/53/1073608253.db2.gz CFPJOHQRTMMXKQ-UHFFFAOYSA-N 1 1 405.499 1.071 20 0 HDADMO CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670024 1073625406 /nfs/dbraw/zinc/62/54/06/1073625406.db2.gz OIMLDRLBUPUULR-XZOQPEGZSA-N 1 1 414.594 1.904 20 0 HDADMO CN(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000673673086 1073628196 /nfs/dbraw/zinc/62/81/96/1073628196.db2.gz QIQPKGZMMQINPO-DNVCBOLYSA-N 1 1 412.937 1.605 20 0 HDADMO CC(C)(NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000673673193 1073628661 /nfs/dbraw/zinc/62/86/61/1073628661.db2.gz RRNRBTHZKUKNTK-SFHVURJKSA-N 1 1 403.527 1.109 20 0 HDADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673675369 1073630794 /nfs/dbraw/zinc/63/07/94/1073630794.db2.gz NFECARCDHAXASX-FPOVZHCZSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673675369 1073630811 /nfs/dbraw/zinc/63/08/11/1073630811.db2.gz NFECARCDHAXASX-FPOVZHCZSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000673675369 1073630819 /nfs/dbraw/zinc/63/08/19/1073630819.db2.gz NFECARCDHAXASX-FPOVZHCZSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000673713585 1073652647 /nfs/dbraw/zinc/65/26/47/1073652647.db2.gz DZQPQDDOUPSJIP-VQIMIIECSA-N 1 1 416.547 1.867 20 0 HDADMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713792 1073653425 /nfs/dbraw/zinc/65/34/25/1073653425.db2.gz GCPIZOIWFYKFEK-FCHUYYIVSA-N 1 1 402.583 1.666 20 0 HDADMO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713792 1073653430 /nfs/dbraw/zinc/65/34/30/1073653430.db2.gz GCPIZOIWFYKFEK-FCHUYYIVSA-N 1 1 402.583 1.666 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001545674756 1073656914 /nfs/dbraw/zinc/65/69/14/1073656914.db2.gz KYSOIMYEWVYMMI-HKUYNNGSSA-N 1 1 413.570 1.957 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000673749060 1073672571 /nfs/dbraw/zinc/67/25/71/1073672571.db2.gz DBENWQFRGHJEAY-IBGZPJMESA-N 1 1 410.518 1.837 20 0 HDADMO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673741352 1073674276 /nfs/dbraw/zinc/67/42/76/1073674276.db2.gz WMGCGALITNZKSD-DOTOQJQBSA-N 1 1 412.538 1.308 20 0 HDADMO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673741352 1073674282 /nfs/dbraw/zinc/67/42/82/1073674282.db2.gz WMGCGALITNZKSD-DOTOQJQBSA-N 1 1 412.538 1.308 20 0 HDADMO C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429120027 1073685044 /nfs/dbraw/zinc/68/50/44/1073685044.db2.gz BQYMETWJGBSMDY-UHFFFAOYSA-N 1 1 417.959 1.732 20 0 HDADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2CC1 ZINC000946688347 1073694214 /nfs/dbraw/zinc/69/42/14/1073694214.db2.gz PSORMCXXLJMQPQ-ZVSVDHOESA-N 1 1 401.551 1.497 20 0 HDADMO CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000429126560 1073697575 /nfs/dbraw/zinc/69/75/75/1073697575.db2.gz HWIHZKOBUCNEPN-APWZRJJASA-N 1 1 408.568 1.478 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000673773673 1073705812 /nfs/dbraw/zinc/70/58/12/1073705812.db2.gz UTBYHLUGHMIVNU-SFHVURJKSA-N 1 1 422.595 1.964 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000673773960 1073708561 /nfs/dbraw/zinc/70/85/61/1073708561.db2.gz YVWUEWZGAUPKJD-SFHVURJKSA-N 1 1 408.568 1.718 20 0 HDADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000673786003 1073732368 /nfs/dbraw/zinc/73/23/68/1073732368.db2.gz JZOWZMFNWCWWSG-IBGZPJMESA-N 1 1 412.534 1.938 20 0 HDADMO C[C@@H](CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777943 1073734191 /nfs/dbraw/zinc/73/41/91/1073734191.db2.gz QGZSXZTYRSLDBV-RBBKRZOGSA-N 1 1 417.598 1.603 20 0 HDADMO C[C@@H](CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777943 1073734196 /nfs/dbraw/zinc/73/41/96/1073734196.db2.gz QGZSXZTYRSLDBV-RBBKRZOGSA-N 1 1 417.598 1.603 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3nccs3)cc2)CC1 ZINC000673786819 1073740081 /nfs/dbraw/zinc/74/00/81/1073740081.db2.gz ODCMEJBCGKKHLX-UHFFFAOYSA-N 1 1 415.519 1.518 20 0 HDADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@H](C)C1 ZINC000429142866 1073763347 /nfs/dbraw/zinc/76/33/47/1073763347.db2.gz OLENRLSVHNSWFL-APWZRJJASA-N 1 1 411.568 1.978 20 0 HDADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@@H](C)C1 ZINC000429142868 1073763436 /nfs/dbraw/zinc/76/34/36/1073763436.db2.gz OLENRLSVHNSWFL-LPHOPBHVSA-N 1 1 411.568 1.978 20 0 HDADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000501238174 1073766169 /nfs/dbraw/zinc/76/61/69/1073766169.db2.gz RIMFQJQFWIWRAJ-QGZVFWFLSA-N 1 1 417.554 1.249 20 0 HDADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@H](C(=O)Nc3ccccn3)C1)n2C ZINC000673833052 1073800865 /nfs/dbraw/zinc/80/08/65/1073800865.db2.gz UBEOOJQQXSLMIX-AWEZNQCLSA-N 1 1 407.478 1.920 20 0 HDADMO CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673837176 1073811160 /nfs/dbraw/zinc/81/11/60/1073811160.db2.gz DZQFEAKCCWYAQP-GOSISDBHSA-N 1 1 417.945 1.620 20 0 HDADMO CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673837176 1073811177 /nfs/dbraw/zinc/81/11/77/1073811177.db2.gz DZQFEAKCCWYAQP-GOSISDBHSA-N 1 1 417.945 1.620 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000466545654 1073838613 /nfs/dbraw/zinc/83/86/13/1073838613.db2.gz PHDCOHWKLUUEMO-BEFAXECRSA-N 1 1 404.511 1.972 20 0 HDADMO O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000673879193 1073851622 /nfs/dbraw/zinc/85/16/22/1073851622.db2.gz WQSOQRSHVMLFKS-ICSRJNTNSA-N 1 1 421.505 1.345 20 0 HDADMO COCCOCc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000673892283 1073864566 /nfs/dbraw/zinc/86/45/66/1073864566.db2.gz ZAXBCMNFJHHRAA-UHFFFAOYSA-N 1 1 405.495 1.111 20 0 HDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509176823 1073929809 /nfs/dbraw/zinc/92/98/09/1073929809.db2.gz CPPOGCTWRJSZDJ-LBPRGKRZSA-N 1 1 409.405 1.170 20 0 HDADMO CCc1nc(C[NH+]2CCC(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)cs1 ZINC000466565073 1073949946 /nfs/dbraw/zinc/94/99/46/1073949946.db2.gz HCSAMMYAHULWDJ-MRXNPFEDSA-N 1 1 406.556 1.337 20 0 HDADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC000484377423 1073961815 /nfs/dbraw/zinc/96/18/15/1073961815.db2.gz LHBLYXSQJRTYDE-UHFFFAOYSA-N 1 1 415.538 1.444 20 0 HDADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509182196 1073964314 /nfs/dbraw/zinc/96/43/14/1073964314.db2.gz HIPCBSNHICFXBD-IBGZPJMESA-N 1 1 421.519 1.524 20 0 HDADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509182196 1073964319 /nfs/dbraw/zinc/96/43/19/1073964319.db2.gz HIPCBSNHICFXBD-IBGZPJMESA-N 1 1 421.519 1.524 20 0 HDADMO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000543523695 1073996885 /nfs/dbraw/zinc/99/68/85/1073996885.db2.gz HQHSBJFOCIVKKD-UHFFFAOYSA-N 1 1 416.522 1.541 20 0 HDADMO O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1F ZINC000484426719 1074000609 /nfs/dbraw/zinc/00/06/09/1074000609.db2.gz VTFTXYQBFZTSOJ-UHFFFAOYSA-N 1 1 418.307 1.543 20 0 HDADMO Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000509188414 1074002900 /nfs/dbraw/zinc/00/29/00/1074002900.db2.gz ZUQDOVPPTQHMJD-SFHVURJKSA-N 1 1 412.538 1.495 20 0 HDADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429187595 1074004111 /nfs/dbraw/zinc/00/41/11/1074004111.db2.gz WYQPDDLAIDQUEK-UHFFFAOYSA-N 1 1 417.558 1.031 20 0 HDADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429187595 1074004117 /nfs/dbraw/zinc/00/41/17/1074004117.db2.gz WYQPDDLAIDQUEK-UHFFFAOYSA-N 1 1 417.558 1.031 20 0 HDADMO CC(C)C[C@@H]1C[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1 ZINC000509192035 1074025164 /nfs/dbraw/zinc/02/51/64/1074025164.db2.gz OVQXUTIEJAYRCJ-AZUAARDMSA-N 1 1 414.550 1.883 20 0 HDADMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000429191440 1074034083 /nfs/dbraw/zinc/03/40/83/1074034083.db2.gz GYZYRBAGVMKSFN-VQTJNVASSA-N 1 1 410.522 1.380 20 0 HDADMO CNC(=O)N[C@H]1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000466594053 1074049203 /nfs/dbraw/zinc/04/92/03/1074049203.db2.gz WPNLUMKVDHYFCM-OALUTQOASA-N 1 1 402.543 1.078 20 0 HDADMO CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000466594053 1074049208 /nfs/dbraw/zinc/04/92/08/1074049208.db2.gz WPNLUMKVDHYFCM-OALUTQOASA-N 1 1 402.543 1.078 20 0 HDADMO CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000466594053 1074049213 /nfs/dbraw/zinc/04/92/13/1074049213.db2.gz WPNLUMKVDHYFCM-OALUTQOASA-N 1 1 402.543 1.078 20 0 HDADMO C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000466601662 1074065864 /nfs/dbraw/zinc/06/58/64/1074065864.db2.gz OHLUHUCWWDVJBT-GIVPXCGWSA-N 1 1 414.550 1.632 20 0 HDADMO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229083955 1074078024 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ZINC000486216733 1075703664 /nfs/dbraw/zinc/70/36/64/1075703664.db2.gz BZTGPDKSILGTJG-HZPDHXFCSA-N 1 1 409.538 1.664 20 0 HDADMO Cc1ccc(Nc2nc(N)nc(CN3CCN(c4cc[nH+]c(N(C)C)n4)CC3)n2)cc1 ZINC000532733814 1075704297 /nfs/dbraw/zinc/70/42/97/1075704297.db2.gz LGRCJPTVNAIIEM-UHFFFAOYSA-N 1 1 420.525 1.684 20 0 HDADMO CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000549186891 1075704364 /nfs/dbraw/zinc/70/43/64/1075704364.db2.gz YGYXDURDVMBVTO-SFHVURJKSA-N 1 1 412.538 2.394 20 0 HDADMO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O ZINC000429466369 1075704722 /nfs/dbraw/zinc/70/47/22/1075704722.db2.gz YPSGSUIFCZIRPQ-KFWWJZLASA-N 1 1 406.449 1.292 20 0 HDADMO COc1cc2[nH+]c(N3CCCN(S(=O)(=O)C4CC4)CC3)nc(N)c2cc1OC ZINC000549258433 1075705370 /nfs/dbraw/zinc/70/53/70/1075705370.db2.gz FZMFAEOKDXFFAU-UHFFFAOYSA-N 1 1 407.496 1.234 20 0 HDADMO C[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000732339648 1075709900 /nfs/dbraw/zinc/70/99/00/1075709900.db2.gz QSDLLHDPUVHMTN-WMLDXEAASA-N 1 1 421.453 1.506 20 0 HDADMO C[C@@](O)(CNC(=O)NCc1ccncc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC000509253527 1075710320 /nfs/dbraw/zinc/71/03/20/1075710320.db2.gz FYJYYDHKBKLHKT-JOCHJYFZSA-N 1 1 414.506 1.543 20 0 HDADMO CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509440640 1075711710 /nfs/dbraw/zinc/71/17/10/1075711710.db2.gz SNCLPLMCLHWEDM-GUDVDZBRSA-N 1 1 402.539 1.339 20 0 HDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCNc1ccc2ccccc2n1 ZINC000521060434 1075714131 /nfs/dbraw/zinc/71/41/31/1075714131.db2.gz PGYSWBITCWXZAR-IBGZPJMESA-N 1 1 412.538 1.889 20 0 HDADMO CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000509439003 1075714733 /nfs/dbraw/zinc/71/47/33/1075714733.db2.gz UADJVJAHNQECAY-UHFFFAOYSA-N 1 1 414.524 1.339 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1CCO ZINC000509438654 1075716060 /nfs/dbraw/zinc/71/60/60/1075716060.db2.gz NAWKMCXGLYGTLH-QUCCMNQESA-N 1 1 402.539 1.077 20 0 HDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000497637617 1075721736 /nfs/dbraw/zinc/72/17/36/1075721736.db2.gz UQVYWRWBVHUEGU-OKILXGFUSA-N 1 1 402.499 1.866 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000550834576 1075723091 /nfs/dbraw/zinc/72/30/91/1075723091.db2.gz BRLUHUKJGBJEFM-TZMCWYRMSA-N 1 1 401.433 1.618 20 0 HDADMO COCC1(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000509442084 1075727687 /nfs/dbraw/zinc/72/76/87/1075727687.db2.gz MQACBNDKQIRYON-SFHVURJKSA-N 1 1 402.539 1.246 20 0 HDADMO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000509442904 1075734337 /nfs/dbraw/zinc/73/43/37/1075734337.db2.gz VHPVKIQHQCBIJG-WOJBJXKFSA-N 1 1 415.582 1.114 20 0 HDADMO COc1cccc(CN(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000509442864 1075735746 /nfs/dbraw/zinc/73/57/46/1075735746.db2.gz UYHBJYHLVRAKPE-LJQANCHMSA-N 1 1 424.545 1.981 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@]1(C)CCCO ZINC000509442836 1075735851 /nfs/dbraw/zinc/73/58/51/1075735851.db2.gz UQURVGKTEMZUEI-WMZHIEFXSA-N 1 1 416.566 1.467 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCOC(C)(C)[C@@H]1C ZINC000509442588 1075737147 /nfs/dbraw/zinc/73/71/47/1075737147.db2.gz QXFOITBSGOOEGV-ROUUACIJSA-N 1 1 402.539 1.339 20 0 HDADMO CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000509443209 1075739162 /nfs/dbraw/zinc/73/91/62/1075739162.db2.gz YFLXZNZVZZYUGD-AZUAARDMSA-N 1 1 402.539 1.341 20 0 HDADMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000605444846 1075748409 /nfs/dbraw/zinc/74/84/09/1075748409.db2.gz SBRKNYQMRICDDG-UHFFFAOYSA-N 1 1 418.519 1.879 20 0 HDADMO Cc1ccc(N2CCC(NC(=O)N3CCN(c4nc(N)ns4)CC3)CC2)[nH+]c1 ZINC000494543625 1075753117 /nfs/dbraw/zinc/75/31/17/1075753117.db2.gz BRHVRYDRNPYPEM-UHFFFAOYSA-N 1 1 402.528 1.324 20 0 HDADMO CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465996 1075753542 /nfs/dbraw/zinc/75/35/42/1075753542.db2.gz PBUWFUADNUUERO-DAYGRLMNSA-N 1 1 406.914 1.950 20 0 HDADMO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429268795 1075754266 /nfs/dbraw/zinc/75/42/66/1075754266.db2.gz DGALUMBTNOXCFS-SFTDATJTSA-N 1 1 411.502 1.963 20 0 HDADMO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429268795 1075754270 /nfs/dbraw/zinc/75/42/70/1075754270.db2.gz DGALUMBTNOXCFS-SFTDATJTSA-N 1 1 411.502 1.963 20 0 HDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000429476824 1075755034 /nfs/dbraw/zinc/75/50/34/1075755034.db2.gz OWLWPVDCSUYEJU-SFHVURJKSA-N 1 1 421.586 1.362 20 0 HDADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000732474981 1075756703 /nfs/dbraw/zinc/75/67/03/1075756703.db2.gz NYFWCGVWSVCPBG-HOCLYGCPSA-N 1 1 408.852 1.635 20 0 HDADMO C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[N@@H+](C)Cc1ccccc1 ZINC000520340388 1075758029 /nfs/dbraw/zinc/75/80/29/1075758029.db2.gz DQIKSMKZMUJVIU-GOSISDBHSA-N 1 1 417.579 1.950 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000804224464 1075776269 /nfs/dbraw/zinc/77/62/69/1075776269.db2.gz QCTHCIKDQJHXOS-WBVHZDCISA-N 1 1 410.559 1.739 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)C1CC1 ZINC000804225035 1075776904 /nfs/dbraw/zinc/77/69/04/1075776904.db2.gz RYVVRKWZWQMNNA-OAHLLOKOSA-N 1 1 402.495 1.763 20 0 HDADMO CC(C)(C)c1nnc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)s1 ZINC000464121801 1075778010 /nfs/dbraw/zinc/77/80/10/1075778010.db2.gz KXGLHKTZPQLXET-CQSZACIVSA-N 1 1 403.508 1.979 20 0 HDADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000732572321 1075782358 /nfs/dbraw/zinc/78/23/58/1075782358.db2.gz TXAYAUREJVAOIL-KRWDZBQOSA-N 1 1 419.489 1.753 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cn1 ZINC000732571620 1075782575 /nfs/dbraw/zinc/78/25/75/1075782575.db2.gz FZTFDUJJASZCEM-KRWDZBQOSA-N 1 1 419.489 1.753 20 0 HDADMO CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000732559219 1075785292 /nfs/dbraw/zinc/78/52/92/1075785292.db2.gz IYDUGUKZCDGNGI-SFHVURJKSA-N 1 1 424.567 1.109 20 0 HDADMO CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000732559219 1075785293 /nfs/dbraw/zinc/78/52/93/1075785293.db2.gz IYDUGUKZCDGNGI-SFHVURJKSA-N 1 1 424.567 1.109 20 0 HDADMO CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559369 1075785299 /nfs/dbraw/zinc/78/52/99/1075785299.db2.gz MCRGWSCYYLKQNQ-KRWDZBQOSA-N 1 1 424.567 1.305 20 0 HDADMO CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732559369 1075785300 /nfs/dbraw/zinc/78/53/00/1075785300.db2.gz MCRGWSCYYLKQNQ-KRWDZBQOSA-N 1 1 424.567 1.305 20 0 HDADMO CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1 ZINC000732563645 1075789936 /nfs/dbraw/zinc/78/99/36/1075789936.db2.gz LYPHQMCVZQHUFI-UNMCSNQZSA-N 1 1 411.550 1.837 20 0 HDADMO CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)=NN1c1ccccc1 ZINC000732563645 1075789940 /nfs/dbraw/zinc/78/99/40/1075789940.db2.gz LYPHQMCVZQHUFI-UNMCSNQZSA-N 1 1 411.550 1.837 20 0 HDADMO CC(=O)N1CCC(NC(=O)CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000732569026 1075790222 /nfs/dbraw/zinc/79/02/22/1075790222.db2.gz UNZLSBOJBAQHEW-ZDUSSCGKSA-N 1 1 413.519 1.115 20 0 HDADMO CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[N@H+]3C3CCCCC3)nc2)CC1 ZINC000435591543 1075792655 /nfs/dbraw/zinc/79/26/55/1075792655.db2.gz CRGYOZBPMZNCGO-LJQANCHMSA-N 1 1 421.611 2.227 20 0 HDADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(OCC(=O)NC)c3)c2C1 ZINC000509274439 1075793704 /nfs/dbraw/zinc/79/37/04/1075793704.db2.gz NUBNBIRLZUQTKU-UHFFFAOYSA-N 1 1 424.501 1.792 20 0 HDADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(OCC(=O)NC)c3)c2C1 ZINC000509274439 1075793709 /nfs/dbraw/zinc/79/37/09/1075793709.db2.gz NUBNBIRLZUQTKU-UHFFFAOYSA-N 1 1 424.501 1.792 20 0 HDADMO C[N@H+]1CCC[C@@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000487391172 1075795829 /nfs/dbraw/zinc/79/58/29/1075795829.db2.gz WWJZPENXWQSIEW-PKOBYXMFSA-N 1 1 410.584 1.467 20 0 HDADMO C[N@H+]1CCC[C@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000487391170 1075795975 /nfs/dbraw/zinc/79/59/75/1075795975.db2.gz WWJZPENXWQSIEW-IEBWSBKVSA-N 1 1 410.584 1.467 20 0 HDADMO Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000030372506 1075802370 /nfs/dbraw/zinc/80/23/70/1075802370.db2.gz XBBCXRCBJCHNDG-UHFFFAOYSA-N 1 1 423.560 1.539 20 0 HDADMO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000030372506 1075802378 /nfs/dbraw/zinc/80/23/78/1075802378.db2.gz XBBCXRCBJCHNDG-UHFFFAOYSA-N 1 1 423.560 1.539 20 0 HDADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 ZINC000521260445 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YOQQMWAOYIXYFW-RTBURBONSA-N 1 1 412.563 1.905 20 0 HDADMO CCS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866504 721195412 /nfs/dbraw/zinc/19/54/12/721195412.db2.gz BPXQYIZBSLOGMI-QZTJIDSGSA-N 1 1 402.520 1.750 20 0 HDADMO CCS(=O)(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866504 721195418 /nfs/dbraw/zinc/19/54/18/721195418.db2.gz BPXQYIZBSLOGMI-QZTJIDSGSA-N 1 1 402.520 1.750 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@H]3C2)cn1 ZINC001164773314 721207629 /nfs/dbraw/zinc/20/76/29/721207629.db2.gz WEMAMKSMRPBBGP-LEWJYISDSA-N 1 1 404.518 1.983 20 0 HDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(N)(=O)=O)C[C@H]3C2)cn1 ZINC001164765944 721224557 /nfs/dbraw/zinc/22/45/57/721224557.db2.gz IRJWZDMYGYTINY-UONOGXRCSA-N 1 1 410.931 1.074 20 0 HDADMO CCNC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164760692 721246891 /nfs/dbraw/zinc/24/68/91/721246891.db2.gz FXXRFMXQUYNIIJ-HUUCEWRRSA-N 1 1 403.918 1.572 20 0 HDADMO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164878761 721262031 /nfs/dbraw/zinc/26/20/31/721262031.db2.gz VMXWVMGRXDXMHU-UHFFFAOYSA-N 1 1 424.929 1.529 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc(Cl)n3)CC2)C1 ZINC001164869898 721268215 /nfs/dbraw/zinc/26/82/15/721268215.db2.gz SSTJTZVXXYQHJU-UHFFFAOYSA-N 1 1 403.314 1.185 20 0 HDADMO COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164870425 721273001 /nfs/dbraw/zinc/27/30/01/721273001.db2.gz YLCRPBRAHGKMKZ-UHFFFAOYSA-N 1 1 411.934 1.454 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(N(C)C)n3)CC2)C1 ZINC001164875642 721275419 /nfs/dbraw/zinc/27/54/19/721275419.db2.gz YGMRMVKSHYCOCD-UHFFFAOYSA-N 1 1 410.950 1.203 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cc(Cl)cnc43)CC2)C1 ZINC001164872764 721277535 /nfs/dbraw/zinc/27/75/35/721277535.db2.gz FRXPKZSFIZUHFH-UHFFFAOYSA-N 1 1 418.929 1.685 20 0 HDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nccnc3Cl)CC2)C1 ZINC001164874428 721281830 /nfs/dbraw/zinc/28/18/30/721281830.db2.gz ROHOMFDYZINKKG-UHFFFAOYSA-N 1 1 417.888 1.682 20 0 HDADMO COC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164778177 721339132 /nfs/dbraw/zinc/33/91/32/721339132.db2.gz JYTCKOSAWXFWEM-OAQYLSRUSA-N 1 1 415.494 1.987 20 0 HDADMO COC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164778177 721339135 /nfs/dbraw/zinc/33/91/35/721339135.db2.gz JYTCKOSAWXFWEM-OAQYLSRUSA-N 1 1 415.494 1.987 20 0 HDADMO COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779979 721340651 /nfs/dbraw/zinc/34/06/51/721340651.db2.gz XUTQWJULWKEFJK-OAQYLSRUSA-N 1 1 415.494 1.987 20 0 HDADMO COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779979 721340656 /nfs/dbraw/zinc/34/06/56/721340656.db2.gz XUTQWJULWKEFJK-OAQYLSRUSA-N 1 1 415.494 1.987 20 0 HDADMO COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892283 721383501 /nfs/dbraw/zinc/38/35/01/721383501.db2.gz SRGQUSBVNVDCKC-YWZLYKJASA-N 1 1 423.945 1.682 20 0 HDADMO CCOC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164887792 721391964 /nfs/dbraw/zinc/39/19/64/721391964.db2.gz IJYXRGPUMPFJFA-UWJYYQICSA-N 1 1 403.527 1.419 20 0 HDADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164886271 721413744 /nfs/dbraw/zinc/41/37/44/721413744.db2.gz IPQMBRUMRRPZKA-DRSNIGMVSA-N 1 1 414.554 1.688 20 0 HDADMO COC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883865 721414158 /nfs/dbraw/zinc/41/41/58/721414158.db2.gz CBKKJLXLGAXKGO-QRWLVFNGSA-N 1 1 423.945 1.682 20 0 HDADMO C[C@@H]1C(=O)Nc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164886598 721418167 /nfs/dbraw/zinc/41/81/67/721418167.db2.gz KHDRKJCXGXSYAB-MRUHUIDDSA-N 1 1 400.527 1.298 20 0 HDADMO CNC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1Cl ZINC001164889801 721420551 /nfs/dbraw/zinc/42/05/51/721420551.db2.gz RMFKXUGQVLOENN-IIBYNOLFSA-N 1 1 421.973 1.860 20 0 HDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1 ZINC001164897724 721424453 /nfs/dbraw/zinc/42/44/53/721424453.db2.gz UNUKOPMXAUSCTL-SIKLNZKXSA-N 1 1 400.571 1.842 20 0 HDADMO CON(C)C(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164890266 721426239 /nfs/dbraw/zinc/42/62/39/721426239.db2.gz CWTBTIRSVMXUNJ-PGRDOPGGSA-N 1 1 417.554 1.480 20 0 HDADMO O=S(=O)(c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCCC1 ZINC001164784809 721426509 /nfs/dbraw/zinc/42/65/09/721426509.db2.gz MMCJIMLGNAAAEL-HZPDHXFCSA-N 1 1 419.576 1.891 20 0 HDADMO CON(C)C(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164897143 721441886 /nfs/dbraw/zinc/44/18/86/721441886.db2.gz SQELMDQODCJEJB-DENIHFKCSA-N 1 1 417.554 1.480 20 0 HDADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2)CC1 ZINC001164898958 721484649 /nfs/dbraw/zinc/48/46/49/721484649.db2.gz XNXQDCIPIKRRPN-FDDCHVKYSA-N 1 1 414.550 1.924 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164801221 721562710 /nfs/dbraw/zinc/56/27/10/721562710.db2.gz GLYNIAYQWBAHOI-IIAWOOMASA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(Cl)c2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164801221 721562712 /nfs/dbraw/zinc/56/27/12/721562712.db2.gz GLYNIAYQWBAHOI-IIAWOOMASA-N 1 1 402.886 1.492 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164806259 721565217 /nfs/dbraw/zinc/56/52/17/721565217.db2.gz PLNQOUGWGKWPOZ-ZIFCJYIRSA-N 1 1 417.535 1.253 20 0 HDADMO CNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164806259 721565221 /nfs/dbraw/zinc/56/52/21/721565221.db2.gz PLNQOUGWGKWPOZ-ZIFCJYIRSA-N 1 1 417.535 1.253 20 0 HDADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164800350 721569711 /nfs/dbraw/zinc/56/97/11/721569711.db2.gz FCUZZHMQENITQL-QZNHQXDQSA-N 1 1 408.550 1.754 20 0 HDADMO Cc1cc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)C(=O)NC2=O ZINC001164806735 721575577 /nfs/dbraw/zinc/57/55/77/721575577.db2.gz RJYMQQPKTOHFTO-LNLFQRSKSA-N 1 1 407.474 1.537 20 0 HDADMO Cc1cc2c(c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)C(=O)NC2=O ZINC001164806735 721575578 /nfs/dbraw/zinc/57/55/78/721575578.db2.gz RJYMQQPKTOHFTO-LNLFQRSKSA-N 1 1 407.474 1.537 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800736 721584505 /nfs/dbraw/zinc/58/45/05/721584505.db2.gz CQUPDBPAAHASQP-QKNQBKEWSA-N 1 1 408.506 1.632 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800736 721584506 /nfs/dbraw/zinc/58/45/06/721584506.db2.gz CQUPDBPAAHASQP-QKNQBKEWSA-N 1 1 408.506 1.632 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800748 721584669 /nfs/dbraw/zinc/58/46/69/721584669.db2.gz CQUPDBPAAHASQP-ZVDOUQERSA-N 1 1 408.506 1.632 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800748 721584673 /nfs/dbraw/zinc/58/46/73/721584673.db2.gz CQUPDBPAAHASQP-ZVDOUQERSA-N 1 1 408.506 1.632 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164808871 721591602 /nfs/dbraw/zinc/59/16/02/721591602.db2.gz QZYFHSKMPMHTEQ-NLWGTHIKSA-N 1 1 408.506 1.716 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(N)=O)nc(C3CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164808871 721591604 /nfs/dbraw/zinc/59/16/04/721591604.db2.gz QZYFHSKMPMHTEQ-NLWGTHIKSA-N 1 1 408.506 1.716 20 0 HDADMO NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164910654 721731367 /nfs/dbraw/zinc/73/13/67/721731367.db2.gz HPAHMOSHEJBAKI-QGZVFWFLSA-N 1 1 424.477 1.257 20 0 HDADMO CN(C)C(=O)CN1CCC2(CCCN2c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001165012899 721747993 /nfs/dbraw/zinc/74/79/93/721747993.db2.gz RCFGCWSBVFUZRK-UHFFFAOYSA-N 1 1 416.570 1.378 20 0 HDADMO 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TUASUSUVFGKXSQ-CQSZACIVSA-N 1 1 409.458 1.495 20 0 HDADMO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000674914161 1074612877 /nfs/dbraw/zinc/61/28/77/1074612877.db2.gz NTVGVPVKCXKSDN-UHFFFAOYSA-N 1 1 403.567 1.939 20 0 HDADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@@H]([C@H]4CCCO4)C3)CC2)cc1 ZINC000674913751 1074618374 /nfs/dbraw/zinc/61/83/74/1074618374.db2.gz MNRNATKJAXLFQX-FGZHOGPDSA-N 1 1 401.551 1.909 20 0 HDADMO O=C(C[NH+]1CCC(OCCCO)CC1)NCc1ccccc1CN1CCCC1=O ZINC000674913301 1074619361 /nfs/dbraw/zinc/61/93/61/1074619361.db2.gz HYMDPBXZPHZTPW-UHFFFAOYSA-N 1 1 403.523 1.289 20 0 HDADMO COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000674922681 1074623106 /nfs/dbraw/zinc/62/31/06/1074623106.db2.gz PUDGCXXZQDEJMM-SFTDATJTSA-N 1 1 421.538 1.733 20 0 HDADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674916900 1074627401 /nfs/dbraw/zinc/62/74/01/1074627401.db2.gz GXAMURUBFUDOHN-YADHBBJMSA-N 1 1 416.566 1.784 20 0 HDADMO C[C@H](CNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000674916999 1074627423 /nfs/dbraw/zinc/62/74/23/1074627423.db2.gz SYYKAPPOLRZEMG-GIVPXCGWSA-N 1 1 402.539 1.787 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674979827 1074651683 /nfs/dbraw/zinc/65/16/83/1074651683.db2.gz IYQXSINYPOBEDO-PMACEKPBSA-N 1 1 416.522 1.876 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(OCCCO)CC1 ZINC000674982410 1074658425 /nfs/dbraw/zinc/65/84/25/1074658425.db2.gz COQNBPLNTRUDNZ-LJQANCHMSA-N 1 1 404.555 1.770 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000429309012 1074668939 /nfs/dbraw/zinc/66/89/39/1074668939.db2.gz MHUJIQMZFXTCOS-LSDHHAIUSA-N 1 1 410.540 1.074 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)Nc3cnn(CCO)c3)c2)C[C@H](C)O1 ZINC000674994291 1074669311 /nfs/dbraw/zinc/66/93/11/1074669311.db2.gz NOJOMSDKCLYMIW-GASCZTMLSA-N 1 1 401.467 1.062 20 0 HDADMO 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O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N[C@H]2CC[C@@H](CO)CC2)c1 ZINC000675091427 1074714379 /nfs/dbraw/zinc/71/43/79/1074714379.db2.gz MCZQSBDXNDNDDJ-IZAXUBKRSA-N 1 1 418.538 1.698 20 0 HDADMO COCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675112711 1074717615 /nfs/dbraw/zinc/71/76/15/1074717615.db2.gz SLOZODRAYHMGDI-FXAWDEMLSA-N 1 1 402.539 1.834 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)CCN2C1=O ZINC000675105512 1074721133 /nfs/dbraw/zinc/72/11/33/1074721133.db2.gz OWDCDMSNNHYAJS-ZOBUZTSGSA-N 1 1 419.551 1.809 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000438325147 1074723121 /nfs/dbraw/zinc/72/31/21/1074723121.db2.gz HZSKRGRWGWJZQK-UHFFFAOYSA-N 1 1 424.571 1.716 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)C1 ZINC000675111851 1074724443 /nfs/dbraw/zinc/72/44/43/1074724443.db2.gz IHTKEGREFTZZPY-SJORKVTESA-N 1 1 406.962 1.735 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)C1 ZINC000675111848 1074724476 /nfs/dbraw/zinc/72/44/76/1074724476.db2.gz IHTKEGREFTZZPY-DLBZAZTESA-N 1 1 406.962 1.735 20 0 HDADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1COc2c1cccc2Cl ZINC000675118792 1074727061 /nfs/dbraw/zinc/72/70/61/1074727061.db2.gz WZUSTNDPXCDEFO-IRXDYDNUSA-N 1 1 407.898 1.603 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000462662172 1074727398 /nfs/dbraw/zinc/72/73/98/1074727398.db2.gz NNRSWRUKSBXMTC-DZGCQCFKSA-N 1 1 403.508 2.286 20 0 HDADMO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2C)C1=O ZINC000675127763 1074733066 /nfs/dbraw/zinc/73/30/66/1074733066.db2.gz ZPDXHUDNYGIATQ-INIZCTEOSA-N 1 1 413.478 1.018 20 0 HDADMO COCCc1noc(CN(C)C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)n1 ZINC000675155872 1074747320 /nfs/dbraw/zinc/74/73/20/1074747320.db2.gz GMWQUOHLHGLGGD-MRXNPFEDSA-N 1 1 416.482 1.372 20 0 HDADMO COCCc1noc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)n1 ZINC000675155872 1074747331 /nfs/dbraw/zinc/74/73/31/1074747331.db2.gz GMWQUOHLHGLGGD-MRXNPFEDSA-N 1 1 416.482 1.372 20 0 HDADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1-c1ccc(C)cc1 ZINC000539431722 1074754499 /nfs/dbraw/zinc/75/44/99/1074754499.db2.gz VZWLAFYIVRLXAU-LJQANCHMSA-N 1 1 413.522 1.901 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)nn1C1CCCCC1 ZINC000578823118 1074763743 /nfs/dbraw/zinc/76/37/43/1074763743.db2.gz ICJNVIXNJGUHAF-INIZCTEOSA-N 1 1 404.559 1.777 20 0 HDADMO CCOC1CCN(c2nc(NCCOC)[nH+]c(N3CCC(OCC)CC3)n2)CC1 ZINC000675214002 1074765361 /nfs/dbraw/zinc/76/53/61/1074765361.db2.gz MLBNJPVZIOAADM-UHFFFAOYSA-N 1 1 408.547 1.362 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC[C@@H]21 ZINC000766100339 1074770073 /nfs/dbraw/zinc/77/00/73/1074770073.db2.gz ZXQIXSUTIUZWLG-FNXXIHLHSA-N 1 1 402.470 1.535 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)C1 ZINC000675263330 1074774095 /nfs/dbraw/zinc/77/40/95/1074774095.db2.gz FCUVYIDFDXUTEI-GOSISDBHSA-N 1 1 400.523 1.577 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000675287151 1074780430 /nfs/dbraw/zinc/78/04/30/1074780430.db2.gz WEYGUTXJQMCWIW-IRXDYDNUSA-N 1 1 414.531 1.649 20 0 HDADMO Cc1cc(NC(=O)C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)no1 ZINC000591142597 1074782231 /nfs/dbraw/zinc/78/22/31/1074782231.db2.gz QGBSEHLABHDBLP-LBPRGKRZSA-N 1 1 417.441 2.512 20 0 HDADMO Cc1cc(NC(=O)C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)no1 ZINC000591142597 1074782238 /nfs/dbraw/zinc/78/22/38/1074782238.db2.gz QGBSEHLABHDBLP-LBPRGKRZSA-N 1 1 417.441 2.512 20 0 HDADMO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1)[NH+]1CCOCC1 ZINC000554748415 1074786041 /nfs/dbraw/zinc/78/60/41/1074786041.db2.gz AGIXNVROVVUREX-APWZRJJASA-N 1 1 419.570 2.354 20 0 HDADMO Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000555276480 1074796855 /nfs/dbraw/zinc/79/68/55/1074796855.db2.gz YAABQRSFOGUFGN-KRWDZBQOSA-N 1 1 407.478 1.949 20 0 HDADMO CN(C(=O)Cc1ccc(O)cc1Cl)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000509322918 1074798509 /nfs/dbraw/zinc/79/85/09/1074798509.db2.gz YQRQVXOVWRENTA-UHFFFAOYSA-N 1 1 422.957 1.285 20 0 HDADMO C[C@@]1(c2ccccc2)CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310303 1074800506 /nfs/dbraw/zinc/80/05/06/1074800506.db2.gz TZELIWYAMDAKBI-IRLDBZIGSA-N 1 1 402.539 1.350 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325857 1074807506 /nfs/dbraw/zinc/80/75/06/1074807506.db2.gz SHYVUNXCKHVXGS-HXUWFJFHSA-N 1 1 401.551 1.981 20 0 HDADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675326778 1074807946 /nfs/dbraw/zinc/80/79/46/1074807946.db2.gz ZXKICLDEIXIXQK-OAUYIBNBSA-N 1 1 404.898 1.160 20 0 HDADMO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1S(=O)(=O)N1CCOCC1 ZINC001128983252 1074808426 /nfs/dbraw/zinc/80/84/26/1074808426.db2.gz WQOJPEMZUQTQLU-AYHJJNSGSA-N 1 1 407.536 1.371 20 0 HDADMO C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000675366876 1074818584 /nfs/dbraw/zinc/81/85/84/1074818584.db2.gz DTXZGHSGXNKWCL-IRXDYDNUSA-N 1 1 424.567 1.949 20 0 HDADMO C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000675366876 1074818593 /nfs/dbraw/zinc/81/85/93/1074818593.db2.gz DTXZGHSGXNKWCL-IRXDYDNUSA-N 1 1 424.567 1.949 20 0 HDADMO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429333373 1074819716 /nfs/dbraw/zinc/81/97/16/1074819716.db2.gz YTAXDWBRRSJGAZ-ZWKOTPCHSA-N 1 1 411.568 1.358 20 0 HDADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429337300 1075102666 /nfs/dbraw/zinc/10/26/66/1075102666.db2.gz XWZQMULDEKKPJR-SFHVURJKSA-N 1 1 409.490 1.281 20 0 HDADMO COCCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000509328345 1075102959 /nfs/dbraw/zinc/10/29/59/1075102959.db2.gz RICPCLXKBJKVNJ-OAQYLSRUSA-N 1 1 409.596 1.724 20 0 HDADMO C[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000509330865 1075111519 /nfs/dbraw/zinc/11/15/19/1075111519.db2.gz JDSDDCAVOJKXDR-QRVBRYPASA-N 1 1 407.603 1.881 20 0 HDADMO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000509330863 1075111547 /nfs/dbraw/zinc/11/15/47/1075111547.db2.gz JDSDDCAVOJKXDR-CEXWTWQISA-N 1 1 407.603 1.881 20 0 HDADMO CCCN(C(=O)C(=O)Nc1ccc(OC)nn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000570063290 1075115396 /nfs/dbraw/zinc/11/53/96/1075115396.db2.gz DYOBDBWBRZGTJV-GOSISDBHSA-N 1 1 411.506 2.327 20 0 HDADMO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675379812 1075119176 /nfs/dbraw/zinc/11/91/76/1075119176.db2.gz PBOTVHODYOIKDV-PBFPGSCMSA-N 1 1 422.888 1.444 20 0 HDADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000143423649 1075124538 /nfs/dbraw/zinc/12/45/38/1075124538.db2.gz WUZJCIKOJRMHAX-SFHVURJKSA-N 1 1 414.531 1.782 20 0 HDADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000143423649 1075124543 /nfs/dbraw/zinc/12/45/43/1075124543.db2.gz WUZJCIKOJRMHAX-SFHVURJKSA-N 1 1 414.531 1.782 20 0 HDADMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000675404852 1075129617 /nfs/dbraw/zinc/12/96/17/1075129617.db2.gz VIALUVQGTIKBBP-ICSRJNTNSA-N 1 1 424.549 1.669 20 0 HDADMO CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O ZINC000429345346 1075145199 /nfs/dbraw/zinc/14/51/99/1075145199.db2.gz CNBNTELRQQOLCY-UTKZUKDTSA-N 1 1 402.495 1.114 20 0 HDADMO COCCCn1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000526137771 1075150374 /nfs/dbraw/zinc/15/03/74/1075150374.db2.gz WCLUHTVWBYMJOQ-MRXNPFEDSA-N 1 1 415.494 1.890 20 0 HDADMO COCCCn1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000494098760 1075156607 /nfs/dbraw/zinc/15/66/07/1075156607.db2.gz OSACJHJQJBKDIP-RTBURBONSA-N 1 1 401.511 1.924 20 0 HDADMO COC[C@@H](O)C(=O)OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000766136246 1075159326 /nfs/dbraw/zinc/15/93/26/1075159326.db2.gz GOXNXRUDMNJVKQ-HXUWFJFHSA-N 1 1 412.486 1.471 20 0 HDADMO O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000429348405 1075160074 /nfs/dbraw/zinc/16/00/74/1075160074.db2.gz JSSMICQWHFHXCV-RBUKOAKNSA-N 1 1 423.517 1.924 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNS(=O)(=O)CC[C@H]3CCCO3)c2)C1 ZINC000675461606 1075163017 /nfs/dbraw/zinc/16/30/17/1075163017.db2.gz WYYPVNGQKITFDO-RBUKOAKNSA-N 1 1 409.552 1.372 20 0 HDADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000537392852 1075164603 /nfs/dbraw/zinc/16/46/03/1075164603.db2.gz SLQOGGGKFMNDOU-UHFFFAOYSA-N 1 1 407.902 1.857 20 0 HDADMO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675467474 1075166568 /nfs/dbraw/zinc/16/65/68/1075166568.db2.gz WXLDEJMKBBSOFJ-MRXNPFEDSA-N 1 1 421.611 1.941 20 0 HDADMO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000766148383 1075175036 /nfs/dbraw/zinc/17/50/36/1075175036.db2.gz NRLFXJXHCBKVBB-MSOLQXFVSA-N 1 1 404.511 1.778 20 0 HDADMO Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000675496922 1075177384 /nfs/dbraw/zinc/17/73/84/1075177384.db2.gz YMTIXTIPIAHLPV-QGZVFWFLSA-N 1 1 417.489 1.235 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000675497431 1075178915 /nfs/dbraw/zinc/17/89/15/1075178915.db2.gz HNXFDYKCVNSJNX-GOSISDBHSA-N 1 1 409.469 1.946 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@H+]1Cc1ccccc1 ZINC000466683942 1075183174 /nfs/dbraw/zinc/18/31/74/1075183174.db2.gz PTGZJKMXGAOLBM-FUHWJXTLSA-N 1 1 404.474 1.985 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@H+]1Cc1ccccc1 ZINC000466683944 1075183249 /nfs/dbraw/zinc/18/32/49/1075183249.db2.gz PTGZJKMXGAOLBM-WMZOPIPTSA-N 1 1 404.474 1.985 20 0 HDADMO CC[C@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675500868 1075185629 /nfs/dbraw/zinc/18/56/29/1075185629.db2.gz OSGUQPCASRYBIE-PMACEKPBSA-N 1 1 402.539 1.930 20 0 HDADMO CC[C@H](NC(=O)N(C)CC(=O)N1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675500868 1075185631 /nfs/dbraw/zinc/18/56/31/1075185631.db2.gz OSGUQPCASRYBIE-PMACEKPBSA-N 1 1 402.539 1.930 20 0 HDADMO COc1cc(NC(=O)CC[NH+]2CCC(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC000675505127 1075186807 /nfs/dbraw/zinc/18/68/07/1075186807.db2.gz WDDCOBZFXMJCIZ-UHFFFAOYSA-N 1 1 400.497 1.550 20 0 HDADMO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000675511943 1075191167 /nfs/dbraw/zinc/19/11/67/1075191167.db2.gz ZUCWUFBMCROQMR-HNNXBMFYSA-N 1 1 420.473 1.846 20 0 HDADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000675532873 1075192706 /nfs/dbraw/zinc/19/27/06/1075192706.db2.gz XXHCTLCKUQUFRV-INIZCTEOSA-N 1 1 423.508 1.597 20 0 HDADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H]1C(C)C ZINC000429355302 1075193040 /nfs/dbraw/zinc/19/30/40/1075193040.db2.gz QQDIVVYHSZTWFY-LRDDRELGSA-N 1 1 417.915 1.445 20 0 HDADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H]1C(C)C ZINC000429355302 1075193043 /nfs/dbraw/zinc/19/30/43/1075193043.db2.gz QQDIVVYHSZTWFY-LRDDRELGSA-N 1 1 417.915 1.445 20 0 HDADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1 ZINC000675537267 1075193917 /nfs/dbraw/zinc/19/39/17/1075193917.db2.gz OSOLOCCNPPWKLD-AEFFLSMTSA-N 1 1 414.510 1.503 20 0 HDADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)[C@H]1C(C)C ZINC000429354837 1075194601 /nfs/dbraw/zinc/19/46/01/1075194601.db2.gz PJFLGHFDECEYFI-KSSFIOAISA-N 1 1 404.446 1.568 20 0 HDADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)[C@H]1C(C)C ZINC000429354837 1075194605 /nfs/dbraw/zinc/19/46/05/1075194605.db2.gz PJFLGHFDECEYFI-KSSFIOAISA-N 1 1 404.446 1.568 20 0 HDADMO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000509347603 1075195413 /nfs/dbraw/zinc/19/54/13/1075195413.db2.gz ATRLKTPMHCIRLN-MRXNPFEDSA-N 1 1 403.552 1.235 20 0 HDADMO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000429357863 1075199778 /nfs/dbraw/zinc/19/97/78/1075199778.db2.gz XNHPUQXHABXWCC-QFIPXVFZSA-N 1 1 409.490 1.678 20 0 HDADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)no1 ZINC000497380498 1075202768 /nfs/dbraw/zinc/20/27/68/1075202768.db2.gz CCNSSZZZRKPPRC-LSDHHAIUSA-N 1 1 410.540 1.755 20 0 HDADMO Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675562562 1075203768 /nfs/dbraw/zinc/20/37/68/1075203768.db2.gz LCCAMPBPSCNSKO-HXUWFJFHSA-N 1 1 404.530 1.420 20 0 HDADMO Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675562562 1075203770 /nfs/dbraw/zinc/20/37/70/1075203770.db2.gz LCCAMPBPSCNSKO-HXUWFJFHSA-N 1 1 404.530 1.420 20 0 HDADMO COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000521374408 1075207729 /nfs/dbraw/zinc/20/77/29/1075207729.db2.gz YBGNYERQWUJKHN-GOSISDBHSA-N 1 1 413.522 1.885 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1=O ZINC000675572764 1075208894 /nfs/dbraw/zinc/20/88/94/1075208894.db2.gz CLAAAUDLECXIPV-IPMKNSEASA-N 1 1 404.555 1.227 20 0 HDADMO CN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675576400 1075209721 /nfs/dbraw/zinc/20/97/21/1075209721.db2.gz KYOOOPNZRIAUFO-KRWDZBQOSA-N 1 1 420.510 1.889 20 0 HDADMO O=C(Nc1nnc2ccccn21)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000572551855 1075215910 /nfs/dbraw/zinc/21/59/10/1075215910.db2.gz QTIKWHAEMYWSIY-IBGZPJMESA-N 1 1 405.506 2.153 20 0 HDADMO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000426694952 1075221526 /nfs/dbraw/zinc/22/15/26/1075221526.db2.gz LICAHRPKYSBQGU-QGZVFWFLSA-N 1 1 413.522 2.152 20 0 HDADMO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000426694952 1075221532 /nfs/dbraw/zinc/22/15/32/1075221532.db2.gz LICAHRPKYSBQGU-QGZVFWFLSA-N 1 1 413.522 2.152 20 0 HDADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466690111 1075222927 /nfs/dbraw/zinc/22/29/27/1075222927.db2.gz OTIITXYHKQCIAD-GOSISDBHSA-N 1 1 406.600 1.923 20 0 HDADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000562894769 1075226865 /nfs/dbraw/zinc/22/68/65/1075226865.db2.gz FMHUXFPAGAYQRF-OAHLLOKOSA-N 1 1 405.449 2.388 20 0 HDADMO CCN1CC[NH+](Cc2ccc(CNc3ccc(S(=O)(=O)NC)cn3)cc2)CC1 ZINC000486966462 1075232883 /nfs/dbraw/zinc/23/28/83/1075232883.db2.gz LMBAEEVTXJPYMC-UHFFFAOYSA-N 1 1 403.552 1.739 20 0 HDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675595556 1075233683 /nfs/dbraw/zinc/23/36/83/1075233683.db2.gz VLFJRDQWBIEVAI-SOLBZPMBSA-N 1 1 405.543 1.873 20 0 HDADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1 ZINC000675601285 1075238681 /nfs/dbraw/zinc/23/86/81/1075238681.db2.gz HFYXASFKTYBDJH-UHFFFAOYSA-N 1 1 424.505 1.187 20 0 HDADMO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000429365871 1075240652 /nfs/dbraw/zinc/24/06/52/1075240652.db2.gz KEDWPLUIGUXFCK-MRXNPFEDSA-N 1 1 408.568 1.682 20 0 HDADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cnn3ncccc23)CC1 ZINC001129032869 1075243235 /nfs/dbraw/zinc/24/32/35/1075243235.db2.gz CRLIXNKEDHQUOH-UHFFFAOYSA-N 1 1 416.283 1.891 20 0 HDADMO CN(c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000675652714 1075247728 /nfs/dbraw/zinc/24/77/28/1075247728.db2.gz SRWFCSGUEHVCCC-RTBURBONSA-N 1 1 424.567 1.525 20 0 HDADMO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ccccc2O1 ZINC000675631958 1075248565 /nfs/dbraw/zinc/24/85/65/1075248565.db2.gz QOIBNIDHNHRSTC-HNNXBMFYSA-N 1 1 422.528 1.534 20 0 HDADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000675655898 1075250373 /nfs/dbraw/zinc/25/03/73/1075250373.db2.gz GULINTXALBQVNH-MOPGFXCFSA-N 1 1 407.559 1.563 20 0 HDADMO CC(C)(CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)Oc1cc(F)cc(F)c1 ZINC000509361947 1075254528 /nfs/dbraw/zinc/25/45/28/1075254528.db2.gz YFUSVTZHHOUIHN-LJQANCHMSA-N 1 1 401.454 1.505 20 0 HDADMO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675716851 1075259850 /nfs/dbraw/zinc/25/98/50/1075259850.db2.gz OFXYWAGSKARJAL-AABGKKOBSA-N 1 1 405.539 1.986 20 0 HDADMO C[C@H]1CN(CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000543644281 1075263381 /nfs/dbraw/zinc/26/33/81/1075263381.db2.gz IFNXMBRWLXKHMQ-PMACEKPBSA-N 1 1 409.619 1.545 20 0 HDADMO O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2[nH]1 ZINC000675756040 1075265183 /nfs/dbraw/zinc/26/51/83/1075265183.db2.gz XHLROTIYFDSRQZ-JTQLQIEISA-N 1 1 415.313 1.794 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000804221123 1075266421 /nfs/dbraw/zinc/26/64/21/1075266421.db2.gz QWEIQNQNFMTUCX-HNNXBMFYSA-N 1 1 406.502 1.523 20 0 HDADMO C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000675742408 1075266762 /nfs/dbraw/zinc/26/67/62/1075266762.db2.gz OLPSFAKUIVUITH-SFHVURJKSA-N 1 1 424.611 1.384 20 0 HDADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CC1 ZINC000509366868 1075273082 /nfs/dbraw/zinc/27/30/82/1075273082.db2.gz XZKHGJZCXDEFHP-UHFFFAOYSA-N 1 1 412.481 1.928 20 0 HDADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCCCC[C@H]3C)n2)c1C ZINC000434582932 1075278004 /nfs/dbraw/zinc/27/80/04/1075278004.db2.gz DVHWIYGWJDFBNO-CQSZACIVSA-N 1 1 400.483 2.076 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@H+]1Cc1ccccc1 ZINC000466701867 1075282238 /nfs/dbraw/zinc/28/22/38/1075282238.db2.gz GZHOKAOGWSLYGU-YOEHRIQHSA-N 1 1 408.458 1.735 20 0 HDADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)C[C@@H]2C)CC1 ZINC000675870184 1075285774 /nfs/dbraw/zinc/28/57/74/1075285774.db2.gz YMPUBBPJRXRUHM-ILZDJORESA-N 1 1 418.538 1.435 20 0 HDADMO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000479070145 1075286646 /nfs/dbraw/zinc/28/66/46/1075286646.db2.gz LLHULRJJHKGBLJ-AWEZNQCLSA-N 1 1 414.333 1.833 20 0 HDADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@H]1C(C)C ZINC000429381948 1075287003 /nfs/dbraw/zinc/28/70/03/1075287003.db2.gz NZAYDOBNIDHRBI-ICSRJNTNSA-N 1 1 416.522 1.882 20 0 HDADMO CC(C)N1CC[C@@H]([N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O ZINC001035207592 1075288667 /nfs/dbraw/zinc/28/86/67/1075288667.db2.gz XMMIHAROEZICRV-FZWBFHRNSA-N 1 1 401.551 1.734 20 0 HDADMO Cc1ccc(NCCCNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)[nH+]c1 ZINC000426482835 1075301331 /nfs/dbraw/zinc/30/13/31/1075301331.db2.gz ASFIJKPNJNSMAT-OAQYLSRUSA-N 1 1 401.511 2.199 20 0 HDADMO OC[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1cccc(Br)c1 ZINC000428685430 1075307099 /nfs/dbraw/zinc/30/70/99/1075307099.db2.gz XMWFAMXYDXZJJG-HNNXBMFYSA-N 1 1 407.312 2.339 20 0 HDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000675967249 1075311446 /nfs/dbraw/zinc/31/14/46/1075311446.db2.gz CZKAIFYIALNFTH-ZDUSSCGKSA-N 1 1 404.496 1.246 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000675971130 1075312633 /nfs/dbraw/zinc/31/26/33/1075312633.db2.gz MXZDCSDMAVTSBB-UHFFFAOYSA-N 1 1 404.492 1.588 20 0 HDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(c4cccc(F)c4)=NO3)CC2)CC1 ZINC000731351385 1075315388 /nfs/dbraw/zinc/31/53/88/1075315388.db2.gz OILWJRPPMBVOCG-HXUWFJFHSA-N 1 1 416.497 1.721 20 0 HDADMO Cc1cc2c(c(F)c1)N(CN1CCC(CC(=O)N3CC[NH+](C)CC3)CC1)C(=O)C2=O ZINC000731354898 1075317852 /nfs/dbraw/zinc/31/78/52/1075317852.db2.gz XBCAXNLLWRNDCZ-UHFFFAOYSA-N 1 1 416.497 1.497 20 0 HDADMO C[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)CN(c4ccccc4)C3=O)CC2)CC1 ZINC000731354906 1075317872 /nfs/dbraw/zinc/31/78/72/1075317872.db2.gz XLHVRAAWWQNALL-UHFFFAOYSA-N 1 1 413.522 1.289 20 0 HDADMO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000429386744 1075318817 /nfs/dbraw/zinc/31/88/17/1075318817.db2.gz NJTRUGFZIYLWTE-MOPGFXCFSA-N 1 1 419.957 1.867 20 0 HDADMO C[NH+]1CCN(C(=O)CC2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)CC1 ZINC000731356643 1075319846 /nfs/dbraw/zinc/31/98/46/1075319846.db2.gz ZQQPPBNPHLJWTD-UHFFFAOYSA-N 1 1 417.485 1.476 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)n[nH]c3c2)C1 ZINC000766191007 1075324241 /nfs/dbraw/zinc/32/42/41/1075324241.db2.gz XIWQBDQFWUSCIR-OAHLLOKOSA-N 1 1 402.451 1.005 20 0 HDADMO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1 ZINC000766191007 1075324247 /nfs/dbraw/zinc/32/42/47/1075324247.db2.gz XIWQBDQFWUSCIR-OAHLLOKOSA-N 1 1 402.451 1.005 20 0 HDADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1 ZINC000766191007 1075324252 /nfs/dbraw/zinc/32/42/52/1075324252.db2.gz XIWQBDQFWUSCIR-OAHLLOKOSA-N 1 1 402.451 1.005 20 0 HDADMO 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SNVLZVSZKJOERC-NVXWUHKLSA-N 1 1 416.913 1.612 20 0 HDADMO CCOC(=O)/C=C/c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996994 722229481 /nfs/dbraw/zinc/22/94/81/722229481.db2.gz LOKOOPHCDWHXMP-VOTSOKGWSA-N 1 1 422.533 1.805 20 0 HDADMO COc1cccc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21 ZINC001165001477 722237495 /nfs/dbraw/zinc/23/74/95/722237495.db2.gz GJOIGKPEFIRCHP-UHFFFAOYSA-N 1 1 405.506 1.785 20 0 HDADMO CN1CCN(c2ncnc3c2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)CC1 ZINC001165001869 722237935 /nfs/dbraw/zinc/23/79/35/722237935.db2.gz NRURXWIVXOSRFO-UHFFFAOYSA-N 1 1 407.566 1.823 20 0 HDADMO C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Oc1ccc(Cl)cc1 ZINC000429051667 1073479528 /nfs/dbraw/zinc/47/95/28/1073479528.db2.gz AHPFEBBFBUXZOT-LPHOPBHVSA-N 1 1 423.941 1.937 20 0 HDADMO CCOCCN1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429051837 1073479618 /nfs/dbraw/zinc/47/96/18/1073479618.db2.gz IXCBYSHLGKNIDA-OAQYLSRUSA-N 1 1 404.555 1.641 20 0 HDADMO O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CCN1C(=O)c2ccccc2C1=O ZINC000509089345 1073506390 /nfs/dbraw/zinc/50/63/90/1073506390.db2.gz JJJRPIJGMFZVQA-HSZRJFAPSA-N 1 1 418.453 1.479 20 0 HDADMO CNC(=O)COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1OC ZINC000625180616 1073547302 /nfs/dbraw/zinc/54/73/02/1073547302.db2.gz ARYCARZQMDOHEA-QGZVFWFLSA-N 1 1 405.495 1.147 20 0 HDADMO Cc1sc2ncn(CC(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c(=O)c2c1C ZINC000625189499 1073556532 /nfs/dbraw/zinc/55/65/32/1073556532.db2.gz MHVGEXZKFJPKSI-INIZCTEOSA-N 1 1 404.536 1.788 20 0 HDADMO O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000625189526 1073556575 /nfs/dbraw/zinc/55/65/75/1073556575.db2.gz MMYZGLGGKMWIBH-MRXNPFEDSA-N 1 1 413.478 1.159 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(N(C)CCOC)nc3)C2)no1 ZINC000483184772 1073592791 /nfs/dbraw/zinc/59/27/91/1073592791.db2.gz XYMZDBRIKKQLNY-GOSISDBHSA-N 1 1 416.526 1.733 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(N(C)CCOC)nc3)C2)no1 ZINC000483184772 1073592804 /nfs/dbraw/zinc/59/28/04/1073592804.db2.gz XYMZDBRIKKQLNY-GOSISDBHSA-N 1 1 416.526 1.733 20 0 HDADMO CNC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001299283921 1073604527 /nfs/dbraw/zinc/60/45/27/1073604527.db2.gz ALCBXSCZOUYBGD-SFHVURJKSA-N 1 1 419.574 1.049 20 0 HDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673658225 1073605263 /nfs/dbraw/zinc/60/52/63/1073605263.db2.gz GXYXRTXBMVGPEY-HDICACEKSA-N 1 1 401.555 1.708 20 0 HDADMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(S(N)(=O)=O)c1C ZINC000673669279 1073622456 /nfs/dbraw/zinc/62/24/56/1073622456.db2.gz GWXBNPFCKNTDFF-SFHVURJKSA-N 1 1 408.568 1.191 20 0 HDADMO Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C ZINC000673669279 1073622458 /nfs/dbraw/zinc/62/24/58/1073622458.db2.gz GWXBNPFCKNTDFF-SFHVURJKSA-N 1 1 408.568 1.191 20 0 HDADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000673692872 1073636796 /nfs/dbraw/zinc/63/67/96/1073636796.db2.gz QMHHBSZCFGGEGV-INIZCTEOSA-N 1 1 411.524 1.104 20 0 HDADMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000673713581 1073652717 /nfs/dbraw/zinc/65/27/17/1073652717.db2.gz DZQPQDDOUPSJIP-LPHOPBHVSA-N 1 1 416.547 1.867 20 0 HDADMO CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000673715473 1073654348 /nfs/dbraw/zinc/65/43/48/1073654348.db2.gz WAFSPFLBYHEUSL-QGZVFWFLSA-N 1 1 413.522 1.576 20 0 HDADMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000673716606 1073655198 /nfs/dbraw/zinc/65/51/98/1073655198.db2.gz XLGQYGJEUFUXCE-FPOVZHCZSA-N 1 1 408.550 1.720 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000673748790 1073672353 /nfs/dbraw/zinc/67/23/53/1073672353.db2.gz GJYPGMRZACQWCX-INIZCTEOSA-N 1 1 423.517 1.312 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000673748792 1073672452 /nfs/dbraw/zinc/67/24/52/1073672452.db2.gz GJYPGMRZACQWCX-MRXNPFEDSA-N 1 1 423.517 1.312 20 0 HDADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000509137105 1073701224 /nfs/dbraw/zinc/70/12/24/1073701224.db2.gz JUCHYWGOTNEHRE-DKSSEZFCSA-N 1 1 407.946 1.547 20 0 HDADMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000673761825 1073702420 /nfs/dbraw/zinc/70/24/20/1073702420.db2.gz IRBJJIPEUUZGLE-UHFFFAOYSA-N 1 1 412.560 1.017 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771932 1073705514 /nfs/dbraw/zinc/70/55/14/1073705514.db2.gz PFCRSRSLUGUALX-PKOBYXMFSA-N 1 1 408.568 1.716 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000673769737 1073713121 /nfs/dbraw/zinc/71/31/21/1073713121.db2.gz UYRFVYDQRRFZSI-LJQANCHMSA-N 1 1 401.555 1.457 20 0 HDADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](CCCO)c2ccccc2)C[C@@H](C)O1 ZINC000509144687 1073729347 /nfs/dbraw/zinc/72/93/47/1073729347.db2.gz RNHAGIFZAIAAFW-RMVXJAJNSA-N 1 1 417.550 1.717 20 0 HDADMO C[C@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777942 1073734293 /nfs/dbraw/zinc/73/42/93/1073734293.db2.gz QGZSXZTYRSLDBV-IRLDBZIGSA-N 1 1 417.598 1.603 20 0 HDADMO C[C@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777942 1073734302 /nfs/dbraw/zinc/73/43/02/1073734302.db2.gz QGZSXZTYRSLDBV-IRLDBZIGSA-N 1 1 417.598 1.603 20 0 HDADMO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000429134472 1073738284 /nfs/dbraw/zinc/73/82/84/1073738284.db2.gz KFKJTJCDBGOXSW-SJORKVTESA-N 1 1 411.572 1.123 20 0 HDADMO CCS(=O)(=O)N1CC(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000429135508 1073740158 /nfs/dbraw/zinc/74/01/58/1073740158.db2.gz OCLQSCMJOZHGOY-UHFFFAOYSA-N 1 1 409.487 1.401 20 0 HDADMO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673810496 1073753907 /nfs/dbraw/zinc/75/39/07/1073753907.db2.gz RCEZOIAFTLFTNR-KRWDZBQOSA-N 1 1 408.524 1.456 20 0 HDADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1c1ncccn1 ZINC000673814438 1073757811 /nfs/dbraw/zinc/75/78/11/1073757811.db2.gz KAKJQSRWSWUADS-OAQYLSRUSA-N 1 1 408.550 1.770 20 0 HDADMO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOCc2ccccc2)CCO1 ZINC001108089223 1073768853 /nfs/dbraw/zinc/76/88/53/1073768853.db2.gz GQHPAMPGSUIHRN-OJMNFPMESA-N 1 1 400.519 1.834 20 0 HDADMO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOCc2ccccc2)CCO1 ZINC001108089223 1073768856 /nfs/dbraw/zinc/76/88/56/1073768856.db2.gz GQHPAMPGSUIHRN-OJMNFPMESA-N 1 1 400.519 1.834 20 0 HDADMO O=C([C@@H]1CCCN1c1ncccn1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000673816881 1073772533 /nfs/dbraw/zinc/77/25/33/1073772533.db2.gz LGFGXKFZSPYOLU-HNNXBMFYSA-N 1 1 401.433 1.559 20 0 HDADMO COC(=O)c1ccccc1-n1ncc(NCCC[NH+]2CCOCC2)c(Cl)c1=O ZINC000029227231 1073781282 /nfs/dbraw/zinc/78/12/82/1073781282.db2.gz BWAKOFSGTDQOBE-UHFFFAOYSA-N 1 1 406.870 1.807 20 0 HDADMO CC(C)(C)NC(=O)C[NH+]1CCC(CNS(=O)(=O)c2cccc3c2OCO3)CC1 ZINC000509162710 1073808400 /nfs/dbraw/zinc/80/84/00/1073808400.db2.gz MCJCJAOAQJLGSL-UHFFFAOYSA-N 1 1 411.524 1.320 20 0 HDADMO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000057322839 1073816245 /nfs/dbraw/zinc/81/62/45/1073816245.db2.gz KJYHCTSCCLFVKN-CTNGQTDRSA-N 1 1 416.566 1.194 20 0 HDADMO NC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000673875738 1073841816 /nfs/dbraw/zinc/84/18/16/1073841816.db2.gz DSGXYLGPXKXTGI-KXBFYZLASA-N 1 1 400.454 1.929 20 0 HDADMO COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000673874890 1073843174 /nfs/dbraw/zinc/84/31/74/1073843174.db2.gz QMZUZENHGRVUFF-IBGZPJMESA-N 1 1 414.510 1.384 20 0 HDADMO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1OC 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MYADONGWXVMMSK-UHFFFAOYSA-N 1 1 406.280 1.813 20 0 HDADMO COc1cc2c(cc1OC)CN(CC(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000676294923 1075498099 /nfs/dbraw/zinc/49/80/99/1075498099.db2.gz FGCKTOYFDJSHEY-LJQANCHMSA-N 1 1 403.523 1.385 20 0 HDADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC000538541733 1075498126 /nfs/dbraw/zinc/49/81/26/1075498126.db2.gz WOCVFCWLLSFYIU-GOSISDBHSA-N 1 1 413.522 1.651 20 0 HDADMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(N2CCOCC2)cc[nH+]1 ZINC000676304588 1075502699 /nfs/dbraw/zinc/50/26/99/1075502699.db2.gz CQHCTDRSEMYEKX-OAHLLOKOSA-N 1 1 410.478 1.513 20 0 HDADMO C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303460 1075502741 /nfs/dbraw/zinc/50/27/41/1075502741.db2.gz CJZLRRJUMJNAMV-LXZKKBNFSA-N 1 1 403.445 1.875 20 0 HDADMO C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303460 1075502743 /nfs/dbraw/zinc/50/27/43/1075502743.db2.gz CJZLRRJUMJNAMV-LXZKKBNFSA-N 1 1 403.445 1.875 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307112 1075503907 /nfs/dbraw/zinc/50/39/07/1075503907.db2.gz NQCVDJSAPKLTDA-QRTARXTBSA-N 1 1 419.444 1.755 20 0 HDADMO C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307112 1075503911 /nfs/dbraw/zinc/50/39/11/1075503911.db2.gz NQCVDJSAPKLTDA-QRTARXTBSA-N 1 1 419.444 1.755 20 0 HDADMO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676308023 1075505116 /nfs/dbraw/zinc/50/51/16/1075505116.db2.gz TVPHQKDCNAKOHE-VLCRHTCISA-N 1 1 424.545 1.932 20 0 HDADMO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308023 1075505118 /nfs/dbraw/zinc/50/51/18/1075505118.db2.gz TVPHQKDCNAKOHE-VLCRHTCISA-N 1 1 424.545 1.932 20 0 HDADMO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676308024 1075505218 /nfs/dbraw/zinc/50/52/18/1075505218.db2.gz TVPHQKDCNAKOHE-YUXAGFNASA-N 1 1 424.545 1.932 20 0 HDADMO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308024 1075505221 /nfs/dbraw/zinc/50/52/21/1075505221.db2.gz TVPHQKDCNAKOHE-YUXAGFNASA-N 1 1 424.545 1.932 20 0 HDADMO CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001006088980 1075505278 /nfs/dbraw/zinc/50/52/78/1075505278.db2.gz GHVHMKFVOMRWAP-TVFZMDHNSA-N 1 1 401.507 1.666 20 0 HDADMO CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001006088980 1075505281 /nfs/dbraw/zinc/50/52/81/1075505281.db2.gz GHVHMKFVOMRWAP-TVFZMDHNSA-N 1 1 401.507 1.666 20 0 HDADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000676316910 1075506108 /nfs/dbraw/zinc/50/61/08/1075506108.db2.gz IBMOGESVMOLUCC-AEFFLSMTSA-N 1 1 424.567 1.107 20 0 HDADMO Cc1nc(-c2cccnc2)nc(Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)c1C ZINC000486931947 1075511087 /nfs/dbraw/zinc/51/10/87/1075511087.db2.gz BVVACESVYVSQJA-UHFFFAOYSA-N 1 1 406.494 1.870 20 0 HDADMO C[C@H](c1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000509405236 1075512857 /nfs/dbraw/zinc/51/28/57/1075512857.db2.gz IORTYVMUVZOEOP-DYESRHJHSA-N 1 1 411.502 1.738 20 0 HDADMO COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000464680003 1075514992 /nfs/dbraw/zinc/51/49/92/1075514992.db2.gz YKTGAPYIKHZNIX-UHFFFAOYSA-N 1 1 421.519 2.506 20 0 HDADMO C[N@@H+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000731761313 1075515350 /nfs/dbraw/zinc/51/53/50/1075515350.db2.gz DVJJIWNUBQDEOM-LJQANCHMSA-N 1 1 408.568 1.194 20 0 HDADMO C[N@H+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000731761313 1075515357 /nfs/dbraw/zinc/51/53/57/1075515357.db2.gz DVJJIWNUBQDEOM-LJQANCHMSA-N 1 1 408.568 1.194 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000731762073 1075516311 /nfs/dbraw/zinc/51/63/11/1075516311.db2.gz AOIQNCPIGHCXHT-MRXNPFEDSA-N 1 1 416.444 1.591 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676346653 1075519745 /nfs/dbraw/zinc/51/97/45/1075519745.db2.gz DFOKLEPEXKXLQX-TYNCELHUSA-N 1 1 423.457 1.208 20 0 HDADMO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676346653 1075519749 /nfs/dbraw/zinc/51/97/49/1075519749.db2.gz DFOKLEPEXKXLQX-TYNCELHUSA-N 1 1 423.457 1.208 20 0 HDADMO Cc1nc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1C ZINC000555849278 1075520350 /nfs/dbraw/zinc/52/03/50/1075520350.db2.gz PXJTYCWTXVEIOF-UHFFFAOYSA-N 1 1 424.427 1.815 20 0 HDADMO Cc1nc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nn1C ZINC000555849278 1075520353 /nfs/dbraw/zinc/52/03/53/1075520353.db2.gz PXJTYCWTXVEIOF-UHFFFAOYSA-N 1 1 424.427 1.815 20 0 HDADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(OC)c1 ZINC000676332229 1075521583 /nfs/dbraw/zinc/52/15/83/1075521583.db2.gz JVTSZQXHQZJKNW-POZUXBRTSA-N 1 1 405.495 1.144 20 0 HDADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(OC)c1 ZINC000676332229 1075521585 /nfs/dbraw/zinc/52/15/85/1075521585.db2.gz JVTSZQXHQZJKNW-POZUXBRTSA-N 1 1 405.495 1.144 20 0 HDADMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000731827255 1075525352 /nfs/dbraw/zinc/52/53/52/1075525352.db2.gz VNWRALMRZOEQMX-ZDUSSCGKSA-N 1 1 417.959 1.555 20 0 HDADMO O=S1(=O)CC[C@H](SCc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000731805150 1075526644 /nfs/dbraw/zinc/52/66/44/1075526644.db2.gz XEXSGMBMDNQOPF-INIZCTEOSA-N 1 1 409.533 1.989 20 0 HDADMO COc1nnc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000482474356 1075531882 /nfs/dbraw/zinc/53/18/82/1075531882.db2.gz FCHQIEGUGHHBRH-INIZCTEOSA-N 1 1 402.524 1.971 20 0 HDADMO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccn1 ZINC000676406843 1075545064 /nfs/dbraw/zinc/54/50/64/1075545064.db2.gz ZGPZQJPQBUNIGG-MJGOQNOKSA-N 1 1 417.554 1.114 20 0 HDADMO CC[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000731873949 1075549420 /nfs/dbraw/zinc/54/94/20/1075549420.db2.gz XWTWMMIKMPHGQF-HRAATJIYSA-N 1 1 402.495 1.453 20 0 HDADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804221761 1075555284 /nfs/dbraw/zinc/55/52/84/1075555284.db2.gz VGFFGCMZNFVQGS-CVEARBPZSA-N 1 1 422.545 1.811 20 0 HDADMO CC[NH+](CC)[C@H](C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000731906817 1075565201 /nfs/dbraw/zinc/56/52/01/1075565201.db2.gz BXLBGYFMXWLZTO-INIZCTEOSA-N 1 1 413.478 1.060 20 0 HDADMO COc1cccc([C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000731911498 1075567708 /nfs/dbraw/zinc/56/77/08/1075567708.db2.gz PGZXNXHXVORYLE-QFIPXVFZSA-N 1 1 412.486 1.925 20 0 HDADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501180 1075569856 /nfs/dbraw/zinc/56/98/56/1075569856.db2.gz PIQANGCQKRITBW-DZGCQCFKSA-N 1 1 405.465 1.007 20 0 HDADMO C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501180 1075569859 /nfs/dbraw/zinc/56/98/59/1075569859.db2.gz PIQANGCQKRITBW-DZGCQCFKSA-N 1 1 405.465 1.007 20 0 HDADMO COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)O[C@H](C)C2 ZINC000676503284 1075570546 /nfs/dbraw/zinc/57/05/46/1075570546.db2.gz YJKCKZAJSBTCLT-VQIMIIECSA-N 1 1 418.538 1.224 20 0 HDADMO CCn1c(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)nc2ccccc21 ZINC000731962937 1075577669 /nfs/dbraw/zinc/57/76/69/1075577669.db2.gz FINVCGNFTSNLCH-LJQANCHMSA-N 1 1 413.522 1.386 20 0 HDADMO COc1cc2c(cc1CNC(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)O[C@@H](C)C2 ZINC000676543777 1075581724 /nfs/dbraw/zinc/58/17/24/1075581724.db2.gz GKWDNGXXQGYOPP-LPHOPBHVSA-N 1 1 402.539 1.940 20 0 HDADMO CN(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446852365 1075587131 /nfs/dbraw/zinc/58/71/31/1075587131.db2.gz NSGSMNDGGIYAJE-LJQANCHMSA-N 1 1 410.522 2.455 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676555788 1075589068 /nfs/dbraw/zinc/58/90/68/1075589068.db2.gz BBOKFLKZAXOZCF-TVQRCGJNSA-N 1 1 404.692 1.876 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676555788 1075589072 /nfs/dbraw/zinc/58/90/72/1075589072.db2.gz BBOKFLKZAXOZCF-TVQRCGJNSA-N 1 1 404.692 1.876 20 0 HDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc3ccc(Br)cn3n2)CC1 ZINC000482185451 1075591139 /nfs/dbraw/zinc/59/11/39/1075591139.db2.gz KPJYGGQVXXBWKJ-UHFFFAOYSA-N 1 1 423.315 1.771 20 0 HDADMO CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000804176297 1075603620 /nfs/dbraw/zinc/60/36/20/1075603620.db2.gz JQFFHVNAQRAKPD-IRXDYDNUSA-N 1 1 420.510 1.578 20 0 HDADMO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)[NH+]2CCCC2)o1 ZINC000804176201 1075603634 /nfs/dbraw/zinc/60/36/34/1075603634.db2.gz GJAUCSBXAWOYCI-QZTJIDSGSA-N 1 1 419.522 1.843 20 0 HDADMO Cc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)[NH+]2CCCC2)o1 ZINC000804176202 1075603665 /nfs/dbraw/zinc/60/36/65/1075603665.db2.gz GJAUCSBXAWOYCI-ROUUACIJSA-N 1 1 419.522 1.843 20 0 HDADMO C[N@@H+](CCN1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1)Cc1ccccc1 ZINC000732074053 1075606333 /nfs/dbraw/zinc/60/63/33/1075606333.db2.gz QMAFYQNHIWHRNS-UHFFFAOYSA-N 1 1 416.444 1.551 20 0 HDADMO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000732052469 1075608392 /nfs/dbraw/zinc/60/83/92/1075608392.db2.gz WTDXBAOJPBHVRP-UHFFFAOYSA-N 1 1 418.538 1.423 20 0 HDADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@H+](C2CCC2)C1 ZINC000551280927 1075609499 /nfs/dbraw/zinc/60/94/99/1075609499.db2.gz VUUQIWGJSYDGFT-KRWDZBQOSA-N 1 1 410.522 1.792 20 0 HDADMO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)[NH+]2CCCC2)o1 ZINC000804179210 1075609946 /nfs/dbraw/zinc/60/99/46/1075609946.db2.gz XTWJOFIFTRILSW-NVXWUHKLSA-N 1 1 407.511 1.747 20 0 HDADMO Cc1ccc([C@H](CNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)[NH+]2CCCC2)o1 ZINC000804178264 1075612891 /nfs/dbraw/zinc/61/28/91/1075612891.db2.gz GLJPHKBQDOUZIM-SFHVURJKSA-N 1 1 419.522 1.843 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)C[C@H](O)C2CC2)c1 ZINC000676632978 1075625714 /nfs/dbraw/zinc/62/57/14/1075625714.db2.gz QYCAQIZDPNFBKS-INIZCTEOSA-N 1 1 403.932 1.622 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)C[C@@H](O)C2CC2)c1 ZINC000676632981 1075625790 /nfs/dbraw/zinc/62/57/90/1075625790.db2.gz QYCAQIZDPNFBKS-MRXNPFEDSA-N 1 1 403.932 1.622 20 0 HDADMO Cn1ccnc1[C@](O)(CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C(F)(F)F ZINC000732127351 1075630957 /nfs/dbraw/zinc/63/09/57/1075630957.db2.gz IKAMHQWHYBHGLZ-RHSMWYFYSA-N 1 1 404.433 1.273 20 0 HDADMO CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732165076 1075643753 /nfs/dbraw/zinc/64/37/53/1075643753.db2.gz CJSHPKPHJQXDFS-NSHDSACASA-N 1 1 402.314 1.405 20 0 HDADMO CCOC(=O)Cc1cccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000509430120 1075643762 /nfs/dbraw/zinc/64/37/62/1075643762.db2.gz JRYONICJBCRJSI-LJQANCHMSA-N 1 1 423.579 1.583 20 0 HDADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000732135653 1075645283 /nfs/dbraw/zinc/64/52/83/1075645283.db2.gz JMCQMEFWEIECEZ-OAHLLOKOSA-N 1 1 407.536 1.848 20 0 HDADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000732137485 1075646004 /nfs/dbraw/zinc/64/60/04/1075646004.db2.gz HHBUSJGFABTILM-SECBINFHSA-N 1 1 410.359 1.762 20 0 HDADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000732138712 1075646872 /nfs/dbraw/zinc/64/68/72/1075646872.db2.gz GCYPJYDTQSRZMB-CQSZACIVSA-N 1 1 417.959 1.869 20 0 HDADMO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000732149533 1075649812 /nfs/dbraw/zinc/64/98/12/1075649812.db2.gz KUJSTJNGRNCGLO-AWEZNQCLSA-N 1 1 416.478 1.525 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1nc(N2CCOCC2)n(C)c1=S ZINC000732187531 1075653541 /nfs/dbraw/zinc/65/35/41/1075653541.db2.gz PHRGDDHBOOFRRK-QGZVFWFLSA-N 1 1 402.568 1.951 20 0 HDADMO CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000676717986 1075654611 /nfs/dbraw/zinc/65/46/11/1075654611.db2.gz SPVUNDRSVYEERQ-WOJBJXKFSA-N 1 1 402.539 1.027 20 0 HDADMO CN(Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732190055 1075654966 /nfs/dbraw/zinc/65/49/66/1075654966.db2.gz WHPURZRAPHEQIA-QZTJIDSGSA-N 1 1 422.599 1.556 20 0 HDADMO C[C@@H]1COCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000676713884 1075658244 /nfs/dbraw/zinc/65/82/44/1075658244.db2.gz MHUDFBZXQOQAFL-OAHLLOKOSA-N 1 1 415.943 1.284 20 0 HDADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000732206491 1075664443 /nfs/dbraw/zinc/66/44/43/1075664443.db2.gz BICKZAIFTYYCGF-KRWDZBQOSA-N 1 1 405.543 1.965 20 0 HDADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000732208064 1075665870 /nfs/dbraw/zinc/66/58/70/1075665870.db2.gz SONLLJRCEKIDTA-HNNXBMFYSA-N 1 1 408.499 1.409 20 0 HDADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000732208064 1075665873 /nfs/dbraw/zinc/66/58/73/1075665873.db2.gz SONLLJRCEKIDTA-HNNXBMFYSA-N 1 1 408.499 1.409 20 0 HDADMO COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000509432141 1075667430 /nfs/dbraw/zinc/66/74/30/1075667430.db2.gz PRBFKYRAFILXGQ-UHFFFAOYSA-N 1 1 423.579 1.948 20 0 HDADMO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732211934 1075668016 /nfs/dbraw/zinc/66/80/16/1075668016.db2.gz VJWYZSKGMAQEKK-MRXNPFEDSA-N 1 1 416.478 1.583 20 0 HDADMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732211934 1075668021 /nfs/dbraw/zinc/66/80/21/1075668021.db2.gz VJWYZSKGMAQEKK-MRXNPFEDSA-N 1 1 416.478 1.583 20 0 HDADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000509432054 1075668327 /nfs/dbraw/zinc/66/83/27/1075668327.db2.gz PCJBTXXGFSCISF-VXGBXAGGSA-N 1 1 410.540 1.556 20 0 HDADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000676739390 1075671513 /nfs/dbraw/zinc/67/15/13/1075671513.db2.gz RRKJVVJEZMBATR-LLVKDONJSA-N 1 1 405.904 1.309 20 0 HDADMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000732202138 1075674532 /nfs/dbraw/zinc/67/45/32/1075674532.db2.gz VRXMRWWODOUKOJ-KRWDZBQOSA-N 1 1 421.496 1.866 20 0 HDADMO Cc1ccc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1S(=O)(=O)N(C)C ZINC000507224766 1075677572 /nfs/dbraw/zinc/67/75/72/1075677572.db2.gz BAVIDDSKOCHMLQ-UHFFFAOYSA-N 1 1 405.524 1.787 20 0 HDADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000804215671 1075689537 /nfs/dbraw/zinc/68/95/37/1075689537.db2.gz AOHXPNFCXWAYLP-BRWVUGGUSA-N 1 1 412.575 1.985 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000804216970 1075691424 /nfs/dbraw/zinc/69/14/24/1075691424.db2.gz RKYGXZAPWXVZQS-IXDOHACOSA-N 1 1 412.575 1.985 20 0 HDADMO Cc1noc(CCC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996599 1075696726 /nfs/dbraw/zinc/69/67/26/1075696726.db2.gz PXKGJGKMFUKFHG-AISVETHESA-N 1 1 404.511 1.285 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC[N@H+]1CC(C)(C)O ZINC000444815350 1075698489 /nfs/dbraw/zinc/69/84/89/1075698489.db2.gz FJXBRKCEQRRLPZ-CYBMUJFWSA-N 1 1 407.515 2.577 20 0 HDADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001545675489 1075699778 /nfs/dbraw/zinc/69/97/78/1075699778.db2.gz ZEEQJZJYJAOUMY-QGZVFWFLSA-N 1 1 411.554 1.805 20 0 HDADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000556208085 1075700146 /nfs/dbraw/zinc/70/01/46/1075700146.db2.gz QKFQAJMVTVKBEI-HIFRSBDPSA-N 1 1 415.460 1.817 20 0 HDADMO CN(C)C(=O)Cn1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000589726069 1075700730 /nfs/dbraw/zinc/70/07/30/1075700730.db2.gz BKLXEZCCAIRZRO-UHFFFAOYSA-N 1 1 412.538 2.347 20 0 HDADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000542349721 1075701356 /nfs/dbraw/zinc/70/13/56/1075701356.db2.gz JWAHKYRKFHYQQP-IYBDPMFKSA-N 1 1 420.558 1.710 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)C[C@H](C)O1 ZINC000577922732 1075703813 /nfs/dbraw/zinc/70/38/13/1075703813.db2.gz COFZXQITUHGFIJ-OKILXGFUSA-N 1 1 421.448 2.335 20 0 HDADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)C[C@H](C)O1 ZINC000577922732 1075703817 /nfs/dbraw/zinc/70/38/17/1075703817.db2.gz COFZXQITUHGFIJ-OKILXGFUSA-N 1 1 421.448 2.335 20 0 HDADMO COc1cc2[nH+]c(N3CCC(C(=O)Nc4nncs4)CC3)nc(N)c2cc1OC ZINC000540287326 1075705058 /nfs/dbraw/zinc/70/50/58/1075705058.db2.gz SAJJNFICUXCURF-UHFFFAOYSA-N 1 1 415.479 1.936 20 0 HDADMO Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCC[N@H+](C)C1CC1 ZINC000466636863 1075705901 /nfs/dbraw/zinc/70/59/01/1075705901.db2.gz XNWDWTSJABPFBZ-UHFFFAOYSA-N 1 1 419.551 1.280 20 0 HDADMO O=C(NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)N1CCSCC1 ZINC000509436726 1075710121 /nfs/dbraw/zinc/71/01/21/1075710121.db2.gz OLHOYHFNQAPVNC-SFHVURJKSA-N 1 1 416.547 1.537 20 0 HDADMO CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000471993345 1075712048 /nfs/dbraw/zinc/71/20/48/1075712048.db2.gz SYPIZZRVPJHBNB-ZBFHGGJFSA-N 1 1 405.890 1.587 20 0 HDADMO CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000471993345 1075712056 /nfs/dbraw/zinc/71/20/56/1075712056.db2.gz SYPIZZRVPJHBNB-ZBFHGGJFSA-N 1 1 405.890 1.587 20 0 HDADMO CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509439249 1075713553 /nfs/dbraw/zinc/71/35/53/1075713553.db2.gz DHVTVUHLQKVHMY-XMSQKQJNSA-N 1 1 402.539 1.077 20 0 HDADMO COCC1(C)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509439181 1075714074 /nfs/dbraw/zinc/71/40/74/1075714074.db2.gz ONKRXVWTBVIFPO-IBGZPJMESA-N 1 1 416.566 1.588 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(C)(C)CCCO ZINC000509439172 1075714193 /nfs/dbraw/zinc/71/41/93/1075714193.db2.gz OKAPGPLAUCYNDW-GOSISDBHSA-N 1 1 404.555 1.228 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000466709566 1075714555 /nfs/dbraw/zinc/71/45/55/1075714555.db2.gz DWAXOMJIOMMXAM-SJLPKXTDSA-N 1 1 404.474 1.985 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[N@H+]1Cc1ccccc1 ZINC000466709566 1075714560 /nfs/dbraw/zinc/71/45/60/1075714560.db2.gz DWAXOMJIOMMXAM-SJLPKXTDSA-N 1 1 404.474 1.985 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCc2ccccc2C1 ZINC000509438437 1075717341 /nfs/dbraw/zinc/71/73/41/1075717341.db2.gz BZHWAPQRDAKERW-IBGZPJMESA-N 1 1 406.530 1.898 20 0 HDADMO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2)n1 ZINC000554848915 1075719585 /nfs/dbraw/zinc/71/95/85/1075719585.db2.gz SFIJVXTZXFFSCP-OAHLLOKOSA-N 1 1 414.535 1.284 20 0 HDADMO 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JLJAUAFSZAJNMO-LJQANCHMSA-N 1 1 414.550 1.215 20 0 HDADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000733170523 1076001000 /nfs/dbraw/zinc/00/10/00/1076001000.db2.gz OAVWGQZKJSJYBQ-OAHLLOKOSA-N 1 1 416.570 1.201 20 0 HDADMO COC[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC000733196353 1076002847 /nfs/dbraw/zinc/00/28/47/1076002847.db2.gz CCORUBFRTCHQBJ-FCNRDGCESA-N 1 1 418.519 1.593 20 0 HDADMO Cc1cc(Cn2nnc(C(=O)N(C)CC[NH+]3CCN(c4ccccc4)CC3)c2C)no1 ZINC000513564545 1076005848 /nfs/dbraw/zinc/00/58/48/1076005848.db2.gz XJHLHISAMUILFP-UHFFFAOYSA-N 1 1 423.521 1.825 20 0 HDADMO COC(=O)CC[N@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)C(C)C ZINC000733184939 1076012107 /nfs/dbraw/zinc/01/21/07/1076012107.db2.gz VDFUVWZONSESRO-UHFFFAOYSA-N 1 1 405.495 1.977 20 0 HDADMO COC(=O)CC[N@@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)C(C)C ZINC000733184939 1076012116 /nfs/dbraw/zinc/01/21/16/1076012116.db2.gz VDFUVWZONSESRO-UHFFFAOYSA-N 1 1 405.495 1.977 20 0 HDADMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733188491 1076013155 /nfs/dbraw/zinc/01/31/55/1076013155.db2.gz GNYMYZMZGNVTTD-INIZCTEOSA-N 1 1 418.542 1.934 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)no1 ZINC000514025275 1076016357 /nfs/dbraw/zinc/01/63/57/1076016357.db2.gz UYVFWTYSCBHPDV-YSVLISHTSA-N 1 1 404.515 1.390 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)COc2cccc(C=O)c2)cc1 ZINC000733258233 1076019066 /nfs/dbraw/zinc/01/90/66/1076019066.db2.gz QBZHDYIKXNJZRV-UHFFFAOYSA-N 1 1 424.501 1.727 20 0 HDADMO CO[C@@H]1C[N@@H+](CCOc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959668 1076019878 /nfs/dbraw/zinc/01/98/78/1076019878.db2.gz RXVNEMQPEHDBEY-QQEKQYBASA-N 1 1 400.519 1.921 20 0 HDADMO COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1 ZINC001081960898 1076020601 /nfs/dbraw/zinc/02/06/01/1076020601.db2.gz YNCPKWRJFAKYOW-WQNFENHCSA-N 1 1 402.491 1.313 20 0 HDADMO COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1 ZINC001081960898 1076020603 /nfs/dbraw/zinc/02/06/03/1076020603.db2.gz YNCPKWRJFAKYOW-WQNFENHCSA-N 1 1 402.491 1.313 20 0 HDADMO CCOC(=O)N(C)C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000727034649 1076029546 /nfs/dbraw/zinc/02/95/46/1076029546.db2.gz RBLCRDMTEFHPEX-QGZVFWFLSA-N 1 1 411.547 1.191 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000727104643 1076045421 /nfs/dbraw/zinc/04/54/21/1076045421.db2.gz XNTLFIVJDDJZDG-SFHVURJKSA-N 1 1 412.494 1.356 20 0 HDADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(=O)OCc2ccccc2Cl)CC1 ZINC000733338157 1076045887 /nfs/dbraw/zinc/04/58/87/1076045887.db2.gz RHIQVTWKKMHUDU-UHFFFAOYSA-N 1 1 424.929 1.673 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)COc2cccc(F)c2)CC1=O ZINC000733358861 1076051506 /nfs/dbraw/zinc/05/15/06/1076051506.db2.gz NWPNWFPKNJYPOK-NXHRZFHOSA-N 1 1 407.486 1.014 20 0 HDADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c([nH]2)CCCC4)C3)O1 ZINC001006198518 1076056347 /nfs/dbraw/zinc/05/63/47/1076056347.db2.gz KMFFFCSUTWPLNH-PUIHCZSXSA-N 1 1 400.523 1.474 20 0 HDADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c([nH]2)CCCC4)C3)O1 ZINC001006198518 1076056355 /nfs/dbraw/zinc/05/63/55/1076056355.db2.gz KMFFFCSUTWPLNH-PUIHCZSXSA-N 1 1 400.523 1.474 20 0 HDADMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000733369848 1076057180 /nfs/dbraw/zinc/05/71/80/1076057180.db2.gz OTIYOHNOQONZNV-UHFFFAOYSA-N 1 1 402.720 1.925 20 0 HDADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727167588 1076067612 /nfs/dbraw/zinc/06/76/12/1076067612.db2.gz VEYPVHLDOSDPGF-YCRPNKLZSA-N 1 1 402.495 1.787 20 0 HDADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727167588 1076067618 /nfs/dbraw/zinc/06/76/18/1076067618.db2.gz VEYPVHLDOSDPGF-YCRPNKLZSA-N 1 1 402.495 1.787 20 0 HDADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000727175596 1076069733 /nfs/dbraw/zinc/06/97/33/1076069733.db2.gz WDJZIGKVNNELLP-ZBFHGGJFSA-N 1 1 423.535 1.470 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000727174823 1076069886 /nfs/dbraw/zinc/06/98/86/1076069886.db2.gz FYIQCZVJQLLVRZ-HNNXBMFYSA-N 1 1 406.552 1.694 20 0 HDADMO COC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000727158135 1076071876 /nfs/dbraw/zinc/07/18/76/1076071876.db2.gz BOHAHIHIDOPRRW-QRWLVFNGSA-N 1 1 414.506 1.787 20 0 HDADMO COC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000727158135 1076071883 /nfs/dbraw/zinc/07/18/83/1076071883.db2.gz BOHAHIHIDOPRRW-QRWLVFNGSA-N 1 1 414.506 1.787 20 0 HDADMO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000727318440 1076096270 /nfs/dbraw/zinc/09/62/70/1076096270.db2.gz XCRHOWSSPCVTPU-HNNXBMFYSA-N 1 1 418.519 1.460 20 0 HDADMO COC(=O)N[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000733554521 1076097527 /nfs/dbraw/zinc/09/75/27/1076097527.db2.gz VPEUDOXRIMANAO-IBGZPJMESA-N 1 1 405.495 1.563 20 0 HDADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)CC1 ZINC000733587079 1076116372 /nfs/dbraw/zinc/11/63/72/1076116372.db2.gz UORKSPQBZPTWNI-UHFFFAOYSA-N 1 1 420.487 1.493 20 0 HDADMO COC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1 ZINC000727434892 1076119128 /nfs/dbraw/zinc/11/91/28/1076119128.db2.gz NOUMRDNRJCDOCO-KRWDZBQOSA-N 1 1 405.470 1.562 20 0 HDADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000733643488 1076137002 /nfs/dbraw/zinc/13/70/02/1076137002.db2.gz QYBDRHHMGCWKPE-MRXNPFEDSA-N 1 1 411.547 1.239 20 0 HDADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000727491675 1076137362 /nfs/dbraw/zinc/13/73/62/1076137362.db2.gz KLWYSAXYJCJYIK-SFHVURJKSA-N 1 1 418.538 1.403 20 0 HDADMO CC(C)N(CCC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C(=O)OC(C)(C)C ZINC000727486608 1076141562 /nfs/dbraw/zinc/14/15/62/1076141562.db2.gz NGXCDLUZAKGTOZ-KRWDZBQOSA-N 1 1 410.559 1.963 20 0 HDADMO C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000727524366 1076146236 /nfs/dbraw/zinc/14/62/36/1076146236.db2.gz DMXQUDRPWVCKHO-QAPCUYQASA-N 1 1 422.485 1.987 20 0 HDADMO C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000727524365 1076146251 /nfs/dbraw/zinc/14/62/51/1076146251.db2.gz DMXQUDRPWVCKHO-MAUKXSAKSA-N 1 1 422.485 1.987 20 0 HDADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000733667933 1076148568 /nfs/dbraw/zinc/14/85/68/1076148568.db2.gz FSBXQSSYHZABFC-CVEARBPZSA-N 1 1 424.567 1.047 20 0 HDADMO Cc1noc(Cn2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)ccc2=O)n1 ZINC000526046164 1076171196 /nfs/dbraw/zinc/17/11/96/1076171196.db2.gz IDJFZCXTFLEZNU-UHFFFAOYSA-N 1 1 422.489 1.140 20 0 HDADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727610384 1076180287 /nfs/dbraw/zinc/18/02/87/1076180287.db2.gz LBVLQLYZTOOLPN-UHFFFAOYSA-N 1 1 423.489 1.476 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)cn1 ZINC000727624802 1076189378 /nfs/dbraw/zinc/18/93/78/1076189378.db2.gz ZOUYCVTYULFHCO-UHFFFAOYSA-N 1 1 407.430 1.992 20 0 HDADMO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[N@@H+](C)C1CC1 ZINC000727741942 1076216714 /nfs/dbraw/zinc/21/67/14/1076216714.db2.gz RXFLFWVYDCFXBO-CYBMUJFWSA-N 1 1 415.943 1.573 20 0 HDADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727766713 1076220710 /nfs/dbraw/zinc/22/07/10/1076220710.db2.gz DWLFYKLBJLQMCY-LPHOPBHVSA-N 1 1 400.504 1.497 20 0 HDADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=S)NC2CCOCC2)c1 ZINC000727782846 1076234653 /nfs/dbraw/zinc/23/46/53/1076234653.db2.gz COQOWSYEGLUNIC-UHFFFAOYSA-N 1 1 406.552 1.491 20 0 HDADMO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)C2)no1 ZINC000533132902 1076241659 /nfs/dbraw/zinc/24/16/59/1076241659.db2.gz LHCSOBCNFBMHKJ-HOTGVXAUSA-N 1 1 418.498 1.660 20 0 HDADMO C[NH+](C)CCn1ccc(=NC(=O)C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]1 ZINC000533456693 1076243317 /nfs/dbraw/zinc/24/33/17/1076243317.db2.gz VZEPLRAXQNBAHW-SFHVURJKSA-N 1 1 417.485 1.152 20 0 HDADMO COCC(=O)NCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001299311937 1076244525 /nfs/dbraw/zinc/24/45/25/1076244525.db2.gz SXODIEYUCCQDNJ-UHFFFAOYSA-N 1 1 412.328 1.682 20 0 HDADMO CN1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000533833755 1076246115 /nfs/dbraw/zinc/24/61/15/1076246115.db2.gz ZCLCOQUKTZKWNT-FGZHOGPDSA-N 1 1 422.529 1.609 20 0 HDADMO CN1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000533833755 1076246120 /nfs/dbraw/zinc/24/61/20/1076246120.db2.gz ZCLCOQUKTZKWNT-FGZHOGPDSA-N 1 1 422.529 1.609 20 0 HDADMO COCC(COC)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC001299317520 1076246848 /nfs/dbraw/zinc/24/68/48/1076246848.db2.gz AVMZSVKCRWOIGI-FQEVSTJZSA-N 1 1 407.580 1.582 20 0 HDADMO 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C[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C ZINC001164907129 721536929 /nfs/dbraw/zinc/53/69/29/721536929.db2.gz MFPLIPYHNLSPRD-FRFSOERESA-N 1 1 412.469 1.734 20 0 HDADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164806632 721537567 /nfs/dbraw/zinc/53/75/67/721537567.db2.gz PJPCWZWIAOUFLZ-WOIUINJBSA-N 1 1 409.538 1.149 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@H]2CCCO[C@H]12 ZINC001164808423 721545790 /nfs/dbraw/zinc/54/57/90/721545790.db2.gz SBQVLTPKIMMIEP-UXLLHSPISA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@H]2CCCO[C@H]12 ZINC001164808423 721545792 /nfs/dbraw/zinc/54/57/92/721545792.db2.gz SBQVLTPKIMMIEP-UXLLHSPISA-N 1 1 402.886 1.492 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@@H]2CCCO[C@@H]12 ZINC001164808421 721546101 /nfs/dbraw/zinc/54/61/01/721546101.db2.gz SBQVLTPKIMMIEP-BFYDXBDKSA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C(N)=O)n2)[C@@H]2CCCO[C@@H]12 ZINC001164808421 721546103 /nfs/dbraw/zinc/54/61/03/721546103.db2.gz SBQVLTPKIMMIEP-BFYDXBDKSA-N 1 1 402.886 1.492 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903132 721552426 /nfs/dbraw/zinc/55/24/26/721552426.db2.gz AVTNRZFURPHTEC-AEFFLSMTSA-N 1 1 420.510 1.813 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164803096 721561670 /nfs/dbraw/zinc/56/16/70/721561670.db2.gz JJARZOOMNSBKHQ-JJRVBVJISA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164803096 721561672 /nfs/dbraw/zinc/56/16/72/721561672.db2.gz JJARZOOMNSBKHQ-JJRVBVJISA-N 1 1 402.886 1.492 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@H]2CCCO[C@@H]12 ZINC001164801214 721573511 /nfs/dbraw/zinc/57/35/11/721573511.db2.gz GLKIAVYSKDCRDE-LZLYRXPVSA-N 1 1 408.506 1.970 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2C(C)(C)C(=O)N3)[C@H]2CCCO[C@@H]12 ZINC001164801214 721573515 /nfs/dbraw/zinc/57/35/15/721573515.db2.gz GLKIAVYSKDCRDE-LZLYRXPVSA-N 1 1 408.506 1.970 20 0 HDADMO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001164808304 721606619 /nfs/dbraw/zinc/60/66/19/721606619.db2.gz XRLDNDLGIHTWQJ-JOCHJYFZSA-N 1 1 424.553 1.071 20 0 HDADMO Cc1nc(N2CCCC2)cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1 ZINC001164911607 721771239 /nfs/dbraw/zinc/77/12/39/721771239.db2.gz HTDRYRFFEUITJS-HSZRJFAPSA-N 1 1 424.549 1.888 20 0 HDADMO Cc1noc(-c2cccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914187 721794871 /nfs/dbraw/zinc/79/48/71/721794871.db2.gz KOOZUJKDWJDWEV-JOCHJYFZSA-N 1 1 422.489 1.943 20 0 HDADMO Cc1noc(-c2cccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914187 721794875 /nfs/dbraw/zinc/79/48/75/721794875.db2.gz KOOZUJKDWJDWEV-JOCHJYFZSA-N 1 1 422.489 1.943 20 0 HDADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(N)(=O)=O)C[C@@H]21 ZINC001165027236 721803097 /nfs/dbraw/zinc/80/30/97/721803097.db2.gz USJIHMCWEFBNTL-BPQIPLTHSA-N 1 1 401.536 1.861 20 0 HDADMO COCCN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1=O ZINC001164920236 721844854 /nfs/dbraw/zinc/84/48/54/721844854.db2.gz HCGWNJGMOZISGP-WOJBJXKFSA-N 1 1 418.538 1.255 20 0 HDADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164925198 721869438 /nfs/dbraw/zinc/86/94/38/721869438.db2.gz MXDIFRLQJDRREZ-ZIAGYGMSSA-N 1 1 421.933 1.257 20 0 HDADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164925198 721869440 /nfs/dbraw/zinc/86/94/40/721869440.db2.gz MXDIFRLQJDRREZ-ZIAGYGMSSA-N 1 1 421.933 1.257 20 0 HDADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1C ZINC001164926599 721876722 /nfs/dbraw/zinc/87/67/22/721876722.db2.gz SAPJJYZOETWQGQ-KBPBESRZSA-N 1 1 406.918 1.623 20 0 HDADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1C ZINC001164926599 721876723 /nfs/dbraw/zinc/87/67/23/721876723.db2.gz SAPJJYZOETWQGQ-KBPBESRZSA-N 1 1 406.918 1.623 20 0 HDADMO C[C@@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165039191 721883019 /nfs/dbraw/zinc/88/30/19/721883019.db2.gz YGDWKJSLVBKQSZ-HUUCEWRRSA-N 1 1 403.527 1.205 20 0 HDADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]12 ZINC001164949289 721967741 /nfs/dbraw/zinc/96/77/41/721967741.db2.gz WQWCUEPQHOFUMO-ZJSXRUAMSA-N 1 1 420.561 1.997 20 0 HDADMO CNS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955238 722021611 /nfs/dbraw/zinc/02/16/11/722021611.db2.gz BGPVRABYLAGXRP-UHFFFAOYSA-N 1 1 401.536 1.877 20 0 HDADMO CN1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)nn2)CC1 ZINC001164959494 722050949 /nfs/dbraw/zinc/05/09/49/722050949.db2.gz LFEALLFUXFABJH-SVMVAKDDSA-N 1 1 409.538 1.529 20 0 HDADMO NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981794 722103101 /nfs/dbraw/zinc/10/31/01/722103101.db2.gz MKSKVSYODNMXRR-QAPCUYQASA-N 1 1 401.898 1.956 20 0 HDADMO COC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1OC ZINC001164975498 722103961 /nfs/dbraw/zinc/10/39/61/722103961.db2.gz CAOQNIBOGFQGNZ-IEBWSBKVSA-N 1 1 412.490 1.999 20 0 HDADMO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCNC2 ZINC001164984762 722104852 /nfs/dbraw/zinc/10/48/52/722104852.db2.gz UWYFRSXLZVDEJG-APWZRJJASA-N 1 1 414.941 1.898 20 0 HDADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCNC2 ZINC001164984762 722104855 /nfs/dbraw/zinc/10/48/55/722104855.db2.gz UWYFRSXLZVDEJG-APWZRJJASA-N 1 1 414.941 1.898 20 0 HDADMO NC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974932 722120000 /nfs/dbraw/zinc/12/00/00/722120000.db2.gz JCFZAYKNQDANOM-DOTOQJQBSA-N 1 1 401.898 1.956 20 0 HDADMO NC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1 ZINC001164971696 722157700 /nfs/dbraw/zinc/15/77/00/722157700.db2.gz DACJLNKZOZZCOM-PKOBYXMFSA-N 1 1 408.506 1.575 20 0 HDADMO COC(=O)c1ncnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164973158 722157757 /nfs/dbraw/zinc/15/77/57/722157757.db2.gz LMCKNPMZAFWZPJ-IRXDYDNUSA-N 1 1 413.478 1.394 20 0 HDADMO Cc1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1C(N)=O ZINC001164996088 722229722 /nfs/dbraw/zinc/22/97/22/722229722.db2.gz DLNSJWJWYUAEIR-UHFFFAOYSA-N 1 1 415.929 1.289 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nccc(Cl)n2)CC3)CC1 ZINC001164997119 722230395 /nfs/dbraw/zinc/23/03/95/722230395.db2.gz QHYBKIXFGWWBCY-UHFFFAOYSA-N 1 1 409.872 1.822 20 0 HDADMO CCOC(=O)c1cc(F)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996527 722230587 /nfs/dbraw/zinc/23/05/87/722230587.db2.gz JELILBJXCHGPPK-UHFFFAOYSA-N 1 1 414.485 1.544 20 0 HDADMO C[C@@H]1CC(=O)Nc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21 ZINC001164997158 722233635 /nfs/dbraw/zinc/23/36/35/722233635.db2.gz MQYRPTPRMRWYOX-CQSZACIVSA-N 1 1 408.510 1.069 20 0 HDADMO COc1cccc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc21 ZINC001164996256 722233707 /nfs/dbraw/zinc/23/37/07/722233707.db2.gz AKPXHIDPFFZNSN-UHFFFAOYSA-N 1 1 405.506 1.785 20 0 HDADMO COC(=O)c1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165002577 722238571 /nfs/dbraw/zinc/23/85/71/722238571.db2.gz VTOZEBUIMWAPLP-UHFFFAOYSA-N 1 1 417.901 1.064 20 0 HDADMO Cc1nc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH]1 ZINC001164999570 722252154 /nfs/dbraw/zinc/25/21/54/722252154.db2.gz CIMSYFYEAVKHKY-UHFFFAOYSA-N 1 1 404.906 2.000 20 0 HDADMO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429050195 1073465385 /nfs/dbraw/zinc/46/53/85/1073465385.db2.gz XORKPHKNTXNQMY-IRXDYDNUSA-N 1 1 413.609 1.684 20 0 HDADMO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429050195 1073465393 /nfs/dbraw/zinc/46/53/93/1073465393.db2.gz XORKPHKNTXNQMY-IRXDYDNUSA-N 1 1 413.609 1.684 20 0 HDADMO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000429060201 1073493879 /nfs/dbraw/zinc/49/38/79/1073493879.db2.gz LLSHAMJKXBGJIE-HKUYNNGSSA-N 1 1 409.552 1.732 20 0 HDADMO Cc1nnc(COCC(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)s1 ZINC000509087041 1073497778 /nfs/dbraw/zinc/49/77/78/1073497778.db2.gz WVRQGEPEDUQXBR-UHFFFAOYSA-N 1 1 403.508 1.780 20 0 HDADMO Cc1c([C@H]2[C@H](NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)CC(=O)N2C)cnn1C ZINC000429061991 1073498584 /nfs/dbraw/zinc/49/85/84/1073498584.db2.gz GKIUYGUKJLHHAV-XLIONFOSSA-N 1 1 413.526 1.398 20 0 HDADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC001299281763 1073503597 /nfs/dbraw/zinc/50/35/97/1073503597.db2.gz SBEZBTOMVSYULC-AWEZNQCLSA-N 1 1 404.536 1.252 20 0 HDADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC001299281763 1073503605 /nfs/dbraw/zinc/50/36/05/1073503605.db2.gz SBEZBTOMVSYULC-AWEZNQCLSA-N 1 1 404.536 1.252 20 0 HDADMO C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000509097354 1073521557 /nfs/dbraw/zinc/52/15/57/1073521557.db2.gz JMKBSUTXVRQGFJ-ZTNFWEORSA-N 1 1 421.973 1.795 20 0 HDADMO C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000509097352 1073521688 /nfs/dbraw/zinc/52/16/88/1073521688.db2.gz JMKBSUTXVRQGFJ-XFQXTVEOSA-N 1 1 421.973 1.795 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000429084412 1073532941 /nfs/dbraw/zinc/53/29/41/1073532941.db2.gz NOCXAFQXXJRGNP-GOSISDBHSA-N 1 1 413.526 1.885 20 0 HDADMO O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673648726 1073547336 /nfs/dbraw/zinc/54/73/36/1073547336.db2.gz MBKCVORWODKHON-NRFANRHFSA-N 1 1 408.502 1.835 20 0 HDADMO O=C(NCc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673648726 1073547345 /nfs/dbraw/zinc/54/73/45/1073547345.db2.gz MBKCVORWODKHON-NRFANRHFSA-N 1 1 408.502 1.835 20 0 HDADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000673650487 1073549601 /nfs/dbraw/zinc/54/96/01/1073549601.db2.gz VOAGLPOMSRHGIV-QGZVFWFLSA-N 1 1 415.538 1.937 20 0 HDADMO COc1nn(C)cc1NC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000475172319 1073557868 /nfs/dbraw/zinc/55/78/68/1073557868.db2.gz GZLIIMVSZGPMPF-UHFFFAOYSA-N 1 1 401.467 1.135 20 0 HDADMO O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000625185719 1073563789 /nfs/dbraw/zinc/56/37/89/1073563789.db2.gz UNMJUNVOZMSOQG-SFHVURJKSA-N 1 1 400.479 1.172 20 0 HDADMO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429104042 1073589082 /nfs/dbraw/zinc/58/90/82/1073589082.db2.gz OUIWRFIWVLBXCU-IBGZPJMESA-N 1 1 413.522 1.075 20 0 HDADMO CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001299283309 1073590914 /nfs/dbraw/zinc/59/09/14/1073590914.db2.gz ZLHFNMPYRPPLAT-SFHVURJKSA-N 1 1 421.590 1.439 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)COc2ccc(O)cc2)cc1 ZINC000673658450 1073604603 /nfs/dbraw/zinc/60/46/03/1073604603.db2.gz LUPSCGCKXCCMBF-UHFFFAOYSA-N 1 1 412.490 1.620 20 0 HDADMO CCOC(=O)[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001128522241 1073617194 /nfs/dbraw/zinc/61/71/94/1073617194.db2.gz TYGBYNMBDXVKAG-AUSJPIAWSA-N 1 1 410.536 1.715 20 0 HDADMO NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673668356 1073620975 /nfs/dbraw/zinc/62/09/75/1073620975.db2.gz LGTYSPBLQPTEFY-FDDCHVKYSA-N 1 1 408.502 1.117 20 0 HDADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669471 1073621642 /nfs/dbraw/zinc/62/16/42/1073621642.db2.gz QZSNNMQLIBWQHV-MRXNPFEDSA-N 1 1 414.554 1.508 20 0 HDADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669471 1073621646 /nfs/dbraw/zinc/62/16/46/1073621646.db2.gz QZSNNMQLIBWQHV-MRXNPFEDSA-N 1 1 414.554 1.508 20 0 HDADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670095 1073624580 /nfs/dbraw/zinc/62/45/80/1073624580.db2.gz ZFPFRFBDFFBYCO-PKOBYXMFSA-N 1 1 405.587 1.635 20 0 HDADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670095 1073624586 /nfs/dbraw/zinc/62/45/86/1073624586.db2.gz ZFPFRFBDFFBYCO-PKOBYXMFSA-N 1 1 405.587 1.635 20 0 HDADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673675375 1073630997 /nfs/dbraw/zinc/63/09/97/1073630997.db2.gz NFECARCDHAXASX-TZIWHRDSSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673675375 1073630999 /nfs/dbraw/zinc/63/09/99/1073630999.db2.gz NFECARCDHAXASX-TZIWHRDSSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000673675375 1073631002 /nfs/dbraw/zinc/63/10/02/1073631002.db2.gz NFECARCDHAXASX-TZIWHRDSSA-N 1 1 408.550 1.768 20 0 HDADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000673702378 1073644060 /nfs/dbraw/zinc/64/40/60/1073644060.db2.gz BHJMRHNCYLNOMG-LJQANCHMSA-N 1 1 408.568 1.609 20 0 HDADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673700899 1073644292 /nfs/dbraw/zinc/64/42/92/1073644292.db2.gz XESYACYFZOSMSV-WOJBJXKFSA-N 1 1 400.523 1.237 20 0 HDADMO CN(C(=O)NCCCN1CCCS1(=O)=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673705159 1073645648 /nfs/dbraw/zinc/64/56/48/1073645648.db2.gz NAQIGBWTMHOHHQ-IBGZPJMESA-N 1 1 408.568 1.718 20 0 HDADMO Cn1cnc2c1c(=O)n(CCCN1CC[C@H]([N@@H+](C)Cc3ccccc3)C1)c(=O)n2C ZINC000673716685 1073648655 /nfs/dbraw/zinc/64/86/55/1073648655.db2.gz YQDAZYBKSKIPKM-SFHVURJKSA-N 1 1 410.522 1.030 20 0 HDADMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000673716685 1073648661 /nfs/dbraw/zinc/64/86/61/1073648661.db2.gz YQDAZYBKSKIPKM-SFHVURJKSA-N 1 1 410.522 1.030 20 0 HDADMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000673716685 1073648670 /nfs/dbraw/zinc/64/86/70/1073648670.db2.gz YQDAZYBKSKIPKM-SFHVURJKSA-N 1 1 410.522 1.030 20 0 HDADMO CO[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000509130629 1073671676 /nfs/dbraw/zinc/67/16/76/1073671676.db2.gz ZPMDCTWEGZKKOF-FQEVSTJZSA-N 1 1 403.523 1.451 20 0 HDADMO Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1 ZINC000946684731 1073675645 /nfs/dbraw/zinc/67/56/45/1073675645.db2.gz OLMPFGUUJOIFFQ-BHQCHZOVSA-N 1 1 400.523 1.904 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000673753672 1073686326 /nfs/dbraw/zinc/68/63/26/1073686326.db2.gz OYZWRUYBKWZIKU-SFHVURJKSA-N 1 1 416.547 1.825 20 0 HDADMO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000429121291 1073688728 /nfs/dbraw/zinc/68/87/28/1073688728.db2.gz KAZCFBSLPGKYJU-MRXNPFEDSA-N 1 1 412.556 1.554 20 0 HDADMO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000429121291 1073688737 /nfs/dbraw/zinc/68/87/37/1073688737.db2.gz KAZCFBSLPGKYJU-MRXNPFEDSA-N 1 1 412.556 1.554 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000673755842 1073691330 /nfs/dbraw/zinc/69/13/30/1073691330.db2.gz VUVNNKHMZIDJLH-HXUWFJFHSA-N 1 1 408.550 1.722 20 0 HDADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673750727 1073694231 /nfs/dbraw/zinc/69/42/31/1073694231.db2.gz FEBWKSBYQUBXPJ-FXAWDEMLSA-N 1 1 400.523 1.237 20 0 HDADMO CCS(=O)(=O)N1CC(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000429125323 1073694868 /nfs/dbraw/zinc/69/48/68/1073694868.db2.gz YXZBLSCSPSHQDX-UHFFFAOYSA-N 1 1 408.568 1.404 20 0 HDADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000673763926 1073695418 /nfs/dbraw/zinc/69/54/18/1073695418.db2.gz QCRHKHNWCKETHW-UHFFFAOYSA-N 1 1 413.526 1.734 20 0 HDADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000673763926 1073695419 /nfs/dbraw/zinc/69/54/19/1073695419.db2.gz QCRHKHNWCKETHW-UHFFFAOYSA-N 1 1 413.526 1.734 20 0 HDADMO CN(C(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1)C1CCOCC1 ZINC000429124916 1073696011 /nfs/dbraw/zinc/69/60/11/1073696011.db2.gz XGRKBRUXSXVHOB-IBGZPJMESA-N 1 1 403.527 1.305 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000673773959 1073708409 /nfs/dbraw/zinc/70/84/09/1073708409.db2.gz YVWUEWZGAUPKJD-GOSISDBHSA-N 1 1 408.568 1.718 20 0 HDADMO CNC(=O)CN1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673769156 1073713220 /nfs/dbraw/zinc/71/32/20/1073713220.db2.gz OXLONCHKKAEYDG-SFHVURJKSA-N 1 1 401.555 1.503 20 0 HDADMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429131868 1073720482 /nfs/dbraw/zinc/72/04/82/1073720482.db2.gz KPRICBPCJPOZPB-UHFFFAOYSA-N 1 1 405.543 1.936 20 0 HDADMO O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673810383 1073754651 /nfs/dbraw/zinc/75/46/51/1073754651.db2.gz XVBAGOUDDYGIPR-AEFFLSMTSA-N 1 1 400.479 1.220 20 0 HDADMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000673825448 1073769534 /nfs/dbraw/zinc/76/95/34/1073769534.db2.gz XNBDSVBOYDXPDG-QGZVFWFLSA-N 1 1 412.519 1.947 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000673825448 1073769539 /nfs/dbraw/zinc/76/95/39/1073769539.db2.gz XNBDSVBOYDXPDG-QGZVFWFLSA-N 1 1 412.519 1.947 20 0 HDADMO O=C([C@H]1CCCN1c1ncccn1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000673816882 1073773174 /nfs/dbraw/zinc/77/31/74/1073773174.db2.gz LGFGXKFZSPYOLU-OAHLLOKOSA-N 1 1 401.433 1.559 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1csc(N(C)C)n1 ZINC000673852202 1073817228 /nfs/dbraw/zinc/81/72/28/1073817228.db2.gz WHMTVCXLBWBZGV-HNNXBMFYSA-N 1 1 403.556 1.614 20 0 HDADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc(C4CC4)s2)C3)O1 ZINC001004797411 1073830548 /nfs/dbraw/zinc/83/05/48/1073830548.db2.gz YJABLFVVTNYMRY-CSOUEMRRSA-N 1 1 404.536 1.601 20 0 HDADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc(C4CC4)s2)C3)O1 ZINC001004797411 1073830556 /nfs/dbraw/zinc/83/05/56/1073830556.db2.gz YJABLFVVTNYMRY-CSOUEMRRSA-N 1 1 404.536 1.601 20 0 HDADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000466542311 1073832392 /nfs/dbraw/zinc/83/23/92/1073832392.db2.gz QKQWBOMJPNQTII-QGZVFWFLSA-N 1 1 424.977 1.003 20 0 HDADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000466542306 1073832479 /nfs/dbraw/zinc/83/24/79/1073832479.db2.gz QKQWBOMJPNQTII-KRWDZBQOSA-N 1 1 424.977 1.003 20 0 HDADMO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000673878009 1073850685 /nfs/dbraw/zinc/85/06/85/1073850685.db2.gz CTRNOSRZFPXLSX-MRXNPFEDSA-N 1 1 407.584 1.570 20 0 HDADMO O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673879195 1073851251 /nfs/dbraw/zinc/85/12/51/1073851251.db2.gz WQSOQRSHVMLFKS-QUCCMNQESA-N 1 1 421.505 1.345 20 0 HDADMO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000673908193 1073876380 /nfs/dbraw/zinc/87/63/80/1073876380.db2.gz OVYYIKMDLOHIOT-GOSISDBHSA-N 1 1 411.568 1.454 20 0 HDADMO Cc1c([C@@H](C)[NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cnn1C ZINC000543514919 1073952584 /nfs/dbraw/zinc/95/25/84/1073952584.db2.gz NDSPXWLDIIKKLG-UKRRQHHQSA-N 1 1 410.565 1.657 20 0 HDADMO CC[C@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2NC1=O ZINC000670438096 1073952958 /nfs/dbraw/zinc/95/29/58/1073952958.db2.gz JQMWBTHJKZAYDW-NYCLONFESA-N 1 1 414.506 1.668 20 0 HDADMO CO[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[C@@H]1C ZINC000466566620 1073953417 /nfs/dbraw/zinc/95/34/17/1073953417.db2.gz KZLLMHSSACUDAI-QFBILLFUSA-N 1 1 424.567 1.902 20 0 HDADMO CO[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[C@@H]1C ZINC000466566620 1073953420 /nfs/dbraw/zinc/95/34/20/1073953420.db2.gz KZLLMHSSACUDAI-QFBILLFUSA-N 1 1 424.567 1.902 20 0 HDADMO C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C3)no1 ZINC001005012151 1073964850 /nfs/dbraw/zinc/96/48/50/1073964850.db2.gz HTVWQCGOSXMMRW-NFBPCRFFSA-N 1 1 402.495 1.413 20 0 HDADMO 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C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1noc(-c2ccccc2)n1 ZINC000674614261 1074484830 /nfs/dbraw/zinc/48/48/30/1074484830.db2.gz OKPDJYVZMIEHEO-INIZCTEOSA-N 1 1 414.510 1.010 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000674634244 1074489359 /nfs/dbraw/zinc/48/93/59/1074489359.db2.gz MATOOMFYYHARIF-CQSZACIVSA-N 1 1 403.487 1.305 20 0 HDADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)[C@H](C)C1 ZINC000674630375 1074493658 /nfs/dbraw/zinc/49/36/58/1074493658.db2.gz BLFKZMKPMDDATC-AEFFLSMTSA-N 1 1 405.543 1.468 20 0 HDADMO CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1 ZINC000674632116 1074496072 /nfs/dbraw/zinc/49/60/72/1074496072.db2.gz ZJCWTVIBRNOZQE-UXHICEINSA-N 1 1 404.555 1.858 20 0 HDADMO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674644364 1074502178 /nfs/dbraw/zinc/50/21/78/1074502178.db2.gz UAJHPSOLOBZUOD-UTKZUKDTSA-N 1 1 407.559 1.860 20 0 HDADMO COCCOc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000142025248 1074508558 /nfs/dbraw/zinc/50/85/58/1074508558.db2.gz PNEQJZMJZBTSMA-HOTGVXAUSA-N 1 1 407.511 1.654 20 0 HDADMO COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000674682373 1074521907 /nfs/dbraw/zinc/52/19/07/1074521907.db2.gz XIGOHHGOFMQTDS-ZDUSSCGKSA-N 1 1 421.885 1.728 20 0 HDADMO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Oc1cccc(F)c1 ZINC000674673261 1074525052 /nfs/dbraw/zinc/52/50/52/1074525052.db2.gz FSLFWJIPJFJDQK-RBUKOAKNSA-N 1 1 408.518 1.689 20 0 HDADMO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700020 1074528581 /nfs/dbraw/zinc/52/85/81/1074528581.db2.gz ZYOCECSBTBBQQC-FQEVSTJZSA-N 1 1 415.582 1.799 20 0 HDADMO Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700020 1074528591 /nfs/dbraw/zinc/52/85/91/1074528591.db2.gz ZYOCECSBTBBQQC-FQEVSTJZSA-N 1 1 415.582 1.799 20 0 HDADMO CCCCN(C(=O)C[N@@H+]1CCCC[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000674714189 1074532961 /nfs/dbraw/zinc/53/29/61/1074532961.db2.gz PPAXUJPKAUKKGZ-HNNXBMFYSA-N 1 1 409.531 1.167 20 0 HDADMO CCCCN(C(=O)C[N@H+]1CCCC[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000674714189 1074532963 /nfs/dbraw/zinc/53/29/63/1074532963.db2.gz PPAXUJPKAUKKGZ-HNNXBMFYSA-N 1 1 409.531 1.167 20 0 HDADMO COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000766065014 1074543557 /nfs/dbraw/zinc/54/35/57/1074543557.db2.gz MTNQGICHFGLVBB-INIZCTEOSA-N 1 1 408.886 1.897 20 0 HDADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000674760178 1074550926 /nfs/dbraw/zinc/55/09/26/1074550926.db2.gz AKQSZBWTKWVTAQ-HNNXBMFYSA-N 1 1 405.524 1.967 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCOC3)C2)cc(OC)c1 ZINC000674777046 1074553218 /nfs/dbraw/zinc/55/32/18/1074553218.db2.gz HBAFKGBLGVRQHQ-WMZOPIPTSA-N 1 1 407.511 1.630 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCOC3)C2)cc(OC)c1 ZINC000674777046 1074553226 /nfs/dbraw/zinc/55/32/26/1074553226.db2.gz HBAFKGBLGVRQHQ-WMZOPIPTSA-N 1 1 407.511 1.630 20 0 HDADMO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccn1 ZINC000674764271 1074558112 /nfs/dbraw/zinc/55/81/12/1074558112.db2.gz UKHTVXWMNDRLDW-GOSISDBHSA-N 1 1 409.490 1.455 20 0 HDADMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000674870027 1074597142 /nfs/dbraw/zinc/59/71/42/1074597142.db2.gz ORPNCHRVBBKCMO-IBGZPJMESA-N 1 1 410.518 1.898 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc(OC)c1 ZINC000674879673 1074600164 /nfs/dbraw/zinc/60/01/64/1074600164.db2.gz WOAZOOXSVPRFMT-SFHVURJKSA-N 1 1 404.511 1.588 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc(OC)c1 ZINC000674879673 1074600168 /nfs/dbraw/zinc/60/01/68/1074600168.db2.gz WOAZOOXSVPRFMT-SFHVURJKSA-N 1 1 404.511 1.588 20 0 HDADMO O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000674887811 1074603977 /nfs/dbraw/zinc/60/39/77/1074603977.db2.gz OGMWNCSVAZBYGX-GOSISDBHSA-N 1 1 412.465 1.575 20 0 HDADMO CC(C)c1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c2cnn(C(C)C)c2n1 ZINC000674905058 1074608513 /nfs/dbraw/zinc/60/85/13/1074608513.db2.gz IKXNAZDEGLGUHG-UHFFFAOYSA-N 1 1 400.527 1.982 20 0 HDADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(OCCCO)CC1 ZINC000674913996 1074613025 /nfs/dbraw/zinc/61/30/25/1074613025.db2.gz BIYKJVSINRFJOW-HNNXBMFYSA-N 1 1 413.540 1.127 20 0 HDADMO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000674935152 1074637164 /nfs/dbraw/zinc/63/71/64/1074637164.db2.gz VQRKXYWVFZHDSN-BPUTZDHNSA-N 1 1 401.429 1.940 20 0 HDADMO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000674935152 1074637167 /nfs/dbraw/zinc/63/71/67/1074637167.db2.gz VQRKXYWVFZHDSN-BPUTZDHNSA-N 1 1 401.429 1.940 20 0 HDADMO COCC(=O)N1CCc2c1cccc2NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000543611448 1074663920 /nfs/dbraw/zinc/66/39/20/1074663920.db2.gz KMWUGTJNMAFAQJ-UHFFFAOYSA-N 1 1 411.506 1.806 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)Nc3cnn(C(C)C)c3)cc2)CC1 ZINC000674992743 1074665191 /nfs/dbraw/zinc/66/51/91/1074665191.db2.gz IYTFEJFBZYEMLU-UHFFFAOYSA-N 1 1 412.494 1.819 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000429310860 1074666952 /nfs/dbraw/zinc/66/69/52/1074666952.db2.gz XUTXPKYMQCKWDJ-SJORKVTESA-N 1 1 402.543 1.291 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429308947 1074668452 /nfs/dbraw/zinc/66/84/52/1074668452.db2.gz MDEWUKNKJZLXSM-AOIWGVFYSA-N 1 1 418.538 1.606 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000429309010 1074668970 /nfs/dbraw/zinc/66/89/70/1074668970.db2.gz MHUJIQMZFXTCOS-HUUCEWRRSA-N 1 1 410.540 1.074 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CCCS3)cc2)CC1 ZINC000674997923 1074676742 /nfs/dbraw/zinc/67/67/42/1074676742.db2.gz RUKKBTJMWLCKNK-KRWDZBQOSA-N 1 1 404.536 1.415 20 0 HDADMO CC(C)(C)N1C[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O ZINC000429311830 1074685756 /nfs/dbraw/zinc/68/57/56/1074685756.db2.gz RPQVRIUIGGXYEC-CQSZACIVSA-N 1 1 408.465 1.682 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nn1-c1ccccc1 ZINC000551759952 1074713799 /nfs/dbraw/zinc/71/37/99/1074713799.db2.gz ZBDIKGIQYNDZKS-NRFANRHFSA-N 1 1 417.513 2.505 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nn1-c1ccccc1 ZINC000551759952 1074713809 /nfs/dbraw/zinc/71/38/09/1074713809.db2.gz ZBDIKGIQYNDZKS-NRFANRHFSA-N 1 1 417.513 2.505 20 0 HDADMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C[N@H+]1Cc1ccccc1 ZINC000675107626 1074722601 /nfs/dbraw/zinc/72/26/01/1074722601.db2.gz XECTXBUFQOBFIS-OBUYZQBDSA-N 1 1 413.522 1.669 20 0 HDADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606009895 1074725615 /nfs/dbraw/zinc/72/56/15/1074725615.db2.gz KNMKIBYZUQJXNN-UHFFFAOYSA-N 1 1 418.501 1.830 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1-c1cccc(Cl)c1 ZINC000578775190 1074726961 /nfs/dbraw/zinc/72/69/61/1074726961.db2.gz KJXHRKGCGSGLCV-HXUWFJFHSA-N 1 1 401.898 2.327 20 0 HDADMO CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000675127025 1074731097 /nfs/dbraw/zinc/73/10/97/1074731097.db2.gz YSKALNPUPRTBKE-JXFKEZNVSA-N 1 1 408.502 1.693 20 0 HDADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1 ZINC000675127934 1074732813 /nfs/dbraw/zinc/73/28/13/1074732813.db2.gz MTLRYUXGMNLROC-LSTDLKDCSA-N 1 1 403.523 1.902 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000427847600 1074734600 /nfs/dbraw/zinc/73/46/00/1074734600.db2.gz CYVVXKVTUHIESU-BETUJISGSA-N 1 1 422.316 2.446 20 0 HDADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000448332523 1074736872 /nfs/dbraw/zinc/73/68/72/1074736872.db2.gz ZQBGGTKQEQZGBW-CQSZACIVSA-N 1 1 404.446 1.816 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000675140735 1074739371 /nfs/dbraw/zinc/73/93/71/1074739371.db2.gz LFHJEACPOKVPRJ-WOVMCDHWSA-N 1 1 404.511 1.755 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000675140149 1074740581 /nfs/dbraw/zinc/74/05/81/1074740581.db2.gz HJVUMQCSOLPTIQ-YJBOKZPZSA-N 1 1 415.494 1.580 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)nn1C1CCCCC1 ZINC000582636240 1074743598 /nfs/dbraw/zinc/74/35/98/1074743598.db2.gz NNRVBAJNIQASEZ-UHFFFAOYSA-N 1 1 404.559 1.779 20 0 HDADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494248 1074749070 /nfs/dbraw/zinc/74/90/70/1074749070.db2.gz FDAZJPRWWGBALW-UHFFFAOYSA-N 1 1 415.365 1.748 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@]3(C)CCCS3)cc2)CC1 ZINC000675210456 1074763992 /nfs/dbraw/zinc/76/39/92/1074763992.db2.gz IUUQYXIIBIAGLH-NRFANRHFSA-N 1 1 418.563 1.805 20 0 HDADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1 ZINC000675213184 1074765275 /nfs/dbraw/zinc/76/52/75/1074765275.db2.gz SHJQOOKYOCXQHT-QGZVFWFLSA-N 1 1 404.511 1.837 20 0 HDADMO Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000675262625 1074773660 /nfs/dbraw/zinc/77/36/60/1074773660.db2.gz GHEFXXQNKDMTRX-SFHVURJKSA-N 1 1 411.506 1.833 20 0 HDADMO CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000675263312 1074774164 /nfs/dbraw/zinc/77/41/64/1074774164.db2.gz DTAVPXGJMORZDS-MRXNPFEDSA-N 1 1 408.930 1.916 20 0 HDADMO C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC[N@H+]1C ZINC001128974530 1074775946 /nfs/dbraw/zinc/77/59/46/1074775946.db2.gz IMMZFGCKZLQZQD-HNKHHVNMSA-N 1 1 405.461 1.791 20 0 HDADMO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)[NH+]1CCOCC1 ZINC000554748417 1074784094 /nfs/dbraw/zinc/78/40/94/1074784094.db2.gz AGIXNVROVVUREX-QFBILLFUSA-N 1 1 419.570 2.354 20 0 HDADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490374799 1074797708 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ZINC000766076421 1074583721 /nfs/dbraw/zinc/58/37/21/1074583721.db2.gz HKLGBINTHTYSDD-AWEZNQCLSA-N 1 1 401.296 1.686 20 0 HDADMO CN(c1ncc(I)cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000766076421 1074583729 /nfs/dbraw/zinc/58/37/29/1074583729.db2.gz HKLGBINTHTYSDD-AWEZNQCLSA-N 1 1 401.296 1.686 20 0 HDADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3nnn(-c4ccn(C)n4)c3C)n2)c1C ZINC000509238202 1074588963 /nfs/dbraw/zinc/58/89/63/1074588963.db2.gz SOMPIKFOPNDLMD-UHFFFAOYSA-N 1 1 422.453 1.222 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](C(C)C)C3)cc2)CC1 ZINC000674894326 1074610552 /nfs/dbraw/zinc/61/05/52/1074610552.db2.gz JTBQZAIASBHEIN-SFHVURJKSA-N 1 1 400.523 1.907 20 0 HDADMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCCCO)CC2)c(=O)n(-c2ccccc2)n1C ZINC000674914295 1074612422 /nfs/dbraw/zinc/61/24/22/1074612422.db2.gz FGIMOEKSZGPHLM-KRWDZBQOSA-N 1 1 416.522 1.675 20 0 HDADMO O=C(C[NH+]1CCC(OCCCO)CC1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000674914196 1074612966 /nfs/dbraw/zinc/61/29/66/1074612966.db2.gz QGQHJBSYVFTNIT-UHFFFAOYSA-N 1 1 403.523 1.402 20 0 HDADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917455 1074614623 /nfs/dbraw/zinc/61/46/23/1074614623.db2.gz JTQZAWZDSLLPTD-VXKWHMMOSA-N 1 1 416.566 1.914 20 0 HDADMO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(OCCCO)CC1 ZINC000674912491 1074617261 /nfs/dbraw/zinc/61/72/61/1074617261.db2.gz FESLCBYHFYZONQ-LBPRGKRZSA-N 1 1 417.428 1.411 20 0 HDADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(CCO)CCN1CCOCC1 ZINC000485474964 1074621300 /nfs/dbraw/zinc/62/13/00/1074621300.db2.gz BHSTZEIASMPLFS-FRIKZZABSA-N 1 1 416.566 1.518 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1 ZINC000674921353 1074622394 /nfs/dbraw/zinc/62/23/94/1074622394.db2.gz FFJUEKDMXRYACW-UHFFFAOYSA-N 1 1 420.517 1.954 20 0 HDADMO C[C@H](CNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000674917003 1074627445 /nfs/dbraw/zinc/62/74/45/1074627445.db2.gz SYYKAPPOLRZEMG-HMXCVIKNSA-N 1 1 402.539 1.787 20 0 HDADMO Cc1c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000674948381 1074635391 /nfs/dbraw/zinc/63/53/91/1074635391.db2.gz TZBSFHGGHQXJMD-WOJBJXKFSA-N 1 1 411.506 1.584 20 0 HDADMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674971722 1074654824 /nfs/dbraw/zinc/65/48/24/1074654824.db2.gz HOOHROQKZZYFAH-FQEVSTJZSA-N 1 1 415.582 1.545 20 0 HDADMO CC(C)c1cc(NC(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000442507010 1074657539 /nfs/dbraw/zinc/65/75/39/1074657539.db2.gz IHVRHJVHMOVKPR-OAQYLSRUSA-N 1 1 400.479 1.832 20 0 HDADMO O=C(Cc1cccc(O)c1)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000509303109 1074663322 /nfs/dbraw/zinc/66/33/22/1074663322.db2.gz HCIINAOBWZZDSY-OAQYLSRUSA-N 1 1 421.497 1.843 20 0 HDADMO COc1ccccc1N1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000674997675 1074675180 /nfs/dbraw/zinc/67/51/80/1074675180.db2.gz PFLBRPCSYXFPKV-OALUTQOASA-N 1 1 401.555 1.695 20 0 HDADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C)NC(=O)C3CCCC3)cc2)CC1 ZINC000509304006 1074681958 /nfs/dbraw/zinc/68/19/58/1074681958.db2.gz JDEQGIVGXSDCBT-INIZCTEOSA-N 1 1 400.523 1.984 20 0 HDADMO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c(OC)c1 ZINC000467678372 1074684668 /nfs/dbraw/zinc/68/46/68/1074684668.db2.gz YWMLZMPDZRXHOX-KGLIPLIRSA-N 1 1 405.451 1.124 20 0 HDADMO COc1nccc(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n1 ZINC001128930234 1074692729 /nfs/dbraw/zinc/69/27/29/1074692729.db2.gz FGZYHECYEVRWKM-UHFFFAOYSA-N 1 1 407.272 1.647 20 0 HDADMO CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC001128932509 1074694131 /nfs/dbraw/zinc/69/41/31/1074694131.db2.gz URNFXBMYKPZAEK-CQSZACIVSA-N 1 1 424.343 1.793 20 0 HDADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000675086184 1074702140 /nfs/dbraw/zinc/70/21/40/1074702140.db2.gz PQDZUKVVFJQUSS-AHIWAGSCSA-N 1 1 412.893 1.009 20 0 HDADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000675086184 1074702151 /nfs/dbraw/zinc/70/21/51/1074702151.db2.gz PQDZUKVVFJQUSS-AHIWAGSCSA-N 1 1 412.893 1.009 20 0 HDADMO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CCN2C1=O ZINC000675087400 1074704763 /nfs/dbraw/zinc/70/47/63/1074704763.db2.gz OTDBKSBEWYNFSV-GOSISDBHSA-N 1 1 401.511 1.705 20 0 HDADMO COC(=O)CCCc1nnc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)s1 ZINC000532435422 1074709133 /nfs/dbraw/zinc/70/91/33/1074709133.db2.gz OUMDTVURMMZZFV-ZIAGYGMSSA-N 1 1 411.528 1.799 20 0 HDADMO CC(C)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000507785408 1074714333 /nfs/dbraw/zinc/71/43/33/1074714333.db2.gz VXNUSFOWTPWUPM-FQEVSTJZSA-N 1 1 424.549 1.821 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nn1[C@@H](C)C1CC1 ZINC000544203237 1074715493 /nfs/dbraw/zinc/71/54/93/1074715493.db2.gz HYKBCKKOHLYBET-PKOBYXMFSA-N 1 1 416.570 1.730 20 0 HDADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101830 1074718120 /nfs/dbraw/zinc/71/81/20/1074718120.db2.gz APXAGMSDHTZARH-JKSUJKDBSA-N 1 1 406.962 1.781 20 0 HDADMO C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101830 1074718129 /nfs/dbraw/zinc/71/81/29/1074718129.db2.gz APXAGMSDHTZARH-JKSUJKDBSA-N 1 1 406.962 1.781 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000675102627 1074718830 /nfs/dbraw/zinc/71/88/30/1074718830.db2.gz KILNMTZCXQUCGP-RHSMWYFYSA-N 1 1 420.510 1.935 20 0 HDADMO CCN1C(=O)[C@H]2CN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106760 1074721513 /nfs/dbraw/zinc/72/15/13/1074721513.db2.gz NMHKOPCIGRYXHM-SJLPKXTDSA-N 1 1 401.511 1.575 20 0 HDADMO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CCN2C1=O ZINC000675108143 1074723748 /nfs/dbraw/zinc/72/37/48/1074723748.db2.gz MSDAIWOWBFUMQF-QRQLOZEOSA-N 1 1 413.522 1.717 20 0 HDADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000504612032 1074725537 /nfs/dbraw/zinc/72/55/37/1074725537.db2.gz FSAUHKAWCCZOIO-UHFFFAOYSA-N 1 1 418.501 1.830 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nn1-c1ccc(F)cc1F ZINC000560152148 1074729471 /nfs/dbraw/zinc/72/94/71/1074729471.db2.gz RWLLLVNQEPOSQD-FQEVSTJZSA-N 1 1 403.433 1.952 20 0 HDADMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O ZINC000543615385 1074735015 /nfs/dbraw/zinc/73/50/15/1074735015.db2.gz ZSTXXUFEUBXGND-PMACEKPBSA-N 1 1 423.517 1.969 20 0 HDADMO C[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)n1nnnc1C(C)(C)C ZINC000543615263 1074737685 /nfs/dbraw/zinc/73/76/85/1074737685.db2.gz VERYGNNHNNCEJK-INIZCTEOSA-N 1 1 400.531 1.255 20 0 HDADMO COc1ccc(-c2cncc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)c2)cc1 ZINC000675141372 1074741235 /nfs/dbraw/zinc/74/12/35/1074741235.db2.gz RAKMLMZPBAMFNN-OAQYLSRUSA-N 1 1 410.518 1.894 20 0 HDADMO CN1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000543615070 1074742689 /nfs/dbraw/zinc/74/26/89/1074742689.db2.gz POVANONJXHTACL-HXUWFJFHSA-N 1 1 408.506 1.777 20 0 HDADMO CN1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000543615070 1074742696 /nfs/dbraw/zinc/74/26/96/1074742696.db2.gz POVANONJXHTACL-HXUWFJFHSA-N 1 1 408.506 1.777 20 0 HDADMO Cc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)nn1-c1ccc(F)cc1F ZINC000579158285 1074743491 /nfs/dbraw/zinc/74/34/91/1074743491.db2.gz SLJIKYQXWBLXID-UHFFFAOYSA-N 1 1 416.432 2.499 20 0 HDADMO Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000675188285 1074752338 /nfs/dbraw/zinc/75/23/38/1074752338.db2.gz JJKLZSFFYMNHMF-HKUYNNGSSA-N 1 1 408.506 1.447 20 0 HDADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675221279 1074763258 /nfs/dbraw/zinc/76/32/58/1074763258.db2.gz WSPGASAOMMDXLV-INIZCTEOSA-N 1 1 413.522 1.851 20 0 HDADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c2ccccc21 ZINC000429323928 1074767630 /nfs/dbraw/zinc/76/76/30/1074767630.db2.gz CABQWDHMXPJURH-SFHVURJKSA-N 1 1 406.486 1.954 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000429326485 1074777257 /nfs/dbraw/zinc/77/72/57/1074777257.db2.gz IHVJOAZTWVEUCU-MSOLQXFVSA-N 1 1 401.555 1.896 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nn1-c1ccc(F)cc1F ZINC000573244516 1074778722 /nfs/dbraw/zinc/77/87/22/1074778722.db2.gz JFLYTMDYRAXHAM-RDJZCZTQSA-N 1 1 403.433 2.140 20 0 HDADMO CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccn1 ZINC000429329332 1074780948 /nfs/dbraw/zinc/78/09/48/1074780948.db2.gz QHSYPANAJUJBNY-HNNXBMFYSA-N 1 1 413.478 1.764 20 0 HDADMO CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccn1 ZINC000429329332 1074780953 /nfs/dbraw/zinc/78/09/53/1074780953.db2.gz QHSYPANAJUJBNY-HNNXBMFYSA-N 1 1 413.478 1.764 20 0 HDADMO O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675281228 1074786141 /nfs/dbraw/zinc/78/61/41/1074786141.db2.gz PSYWFWDDYCYXRQ-ZDUSSCGKSA-N 1 1 402.520 1.751 20 0 HDADMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1 ZINC000675285134 1074787822 /nfs/dbraw/zinc/78/78/22/1074787822.db2.gz KZHMZAQGFLSMME-LBPRGKRZSA-N 1 1 423.491 1.649 20 0 HDADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675326776 1074807834 /nfs/dbraw/zinc/80/78/34/1074807834.db2.gz ZXKICLDEIXIXQK-DQYPLSBCSA-N 1 1 404.898 1.160 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@@H]21 ZINC000766108692 1074812850 /nfs/dbraw/zinc/81/28/50/1074812850.db2.gz KWERAVGLVFJLBA-ABAIWWIYSA-N 1 1 416.341 1.653 20 0 HDADMO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000675365119 1074814374 /nfs/dbraw/zinc/81/43/74/1074814374.db2.gz WBWISPWAXBHLGF-IBGZPJMESA-N 1 1 402.539 1.372 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000766106925 1074815106 /nfs/dbraw/zinc/81/51/06/1074815106.db2.gz GASTWDMPHAKOON-ZRNYENFQSA-N 1 1 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C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676251618 1075468406 /nfs/dbraw/zinc/46/84/06/1075468406.db2.gz REKOYMYPAFFLOR-MAUKXSAKSA-N 1 1 423.945 1.325 20 0 HDADMO COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676251464 1075468947 /nfs/dbraw/zinc/46/89/47/1075468947.db2.gz NAPIYNQGRBVTEP-BEFAXECRSA-N 1 1 410.946 1.895 20 0 HDADMO COc1ccc(Cl)cc1CN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676251464 1075468951 /nfs/dbraw/zinc/46/89/51/1075468951.db2.gz NAPIYNQGRBVTEP-BEFAXECRSA-N 1 1 410.946 1.895 20 0 HDADMO C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676251559 1075469121 /nfs/dbraw/zinc/46/91/21/1075469121.db2.gz QHYFHYHKGMGDBE-WFASDCNBSA-N 1 1 402.326 1.939 20 0 HDADMO C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676251559 1075469123 /nfs/dbraw/zinc/46/91/23/1075469123.db2.gz QHYFHYHKGMGDBE-WFASDCNBSA-N 1 1 402.326 1.939 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676254145 1075471125 /nfs/dbraw/zinc/47/11/25/1075471125.db2.gz DESFIJJUHJGIIY-JTDSTZFVSA-N 1 1 424.567 1.948 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676254145 1075471130 /nfs/dbraw/zinc/47/11/30/1075471130.db2.gz DESFIJJUHJGIIY-JTDSTZFVSA-N 1 1 424.567 1.948 20 0 HDADMO C[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676253432 1075471786 /nfs/dbraw/zinc/47/17/86/1075471786.db2.gz XZVKFSAQGNIWMO-APWZRJJASA-N 1 1 410.946 1.765 20 0 HDADMO C[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676253432 1075471790 /nfs/dbraw/zinc/47/17/90/1075471790.db2.gz XZVKFSAQGNIWMO-APWZRJJASA-N 1 1 410.946 1.765 20 0 HDADMO CCOCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000676278145 1075476235 /nfs/dbraw/zinc/47/62/35/1075476235.db2.gz FDLOQDPPLXZINV-APWZRJJASA-N 1 1 407.511 1.322 20 0 HDADMO CCOCCOCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000676278145 1075476239 /nfs/dbraw/zinc/47/62/39/1075476239.db2.gz FDLOQDPPLXZINV-APWZRJJASA-N 1 1 407.511 1.322 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676277924 1075476926 /nfs/dbraw/zinc/47/69/26/1075476926.db2.gz CCBKMPLPMWGBCK-KXBFYZLASA-N 1 1 416.522 1.523 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676277924 1075476929 /nfs/dbraw/zinc/47/69/29/1075476929.db2.gz CCBKMPLPMWGBCK-KXBFYZLASA-N 1 1 416.522 1.523 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676277765 1075476998 /nfs/dbraw/zinc/47/69/98/1075476998.db2.gz AWZUGJBDQOILHE-KDOFPFPSSA-N 1 1 423.535 1.177 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676277765 1075476999 /nfs/dbraw/zinc/47/69/99/1075476999.db2.gz AWZUGJBDQOILHE-KDOFPFPSSA-N 1 1 423.535 1.177 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676277767 1075477600 /nfs/dbraw/zinc/47/76/00/1075477600.db2.gz AWZUGJBDQOILHE-KSSFIOAISA-N 1 1 423.535 1.177 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676277767 1075477602 /nfs/dbraw/zinc/47/76/02/1075477602.db2.gz AWZUGJBDQOILHE-KSSFIOAISA-N 1 1 423.535 1.177 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000676279172 1075479158 /nfs/dbraw/zinc/47/91/58/1075479158.db2.gz ANPOWLOFMAEYMV-IUODEOHRSA-N 1 1 403.401 1.710 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000676279172 1075479162 /nfs/dbraw/zinc/47/91/62/1075479162.db2.gz ANPOWLOFMAEYMV-IUODEOHRSA-N 1 1 403.401 1.710 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676278971 1075479167 /nfs/dbraw/zinc/47/91/67/1075479167.db2.gz LCXBVRSVUZKSJJ-TVQRCGJNSA-N 1 1 423.363 1.663 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676278971 1075479169 /nfs/dbraw/zinc/47/91/69/1075479169.db2.gz LCXBVRSVUZKSJJ-TVQRCGJNSA-N 1 1 423.363 1.663 20 0 HDADMO CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2)n1 ZINC000676278948 1075479231 /nfs/dbraw/zinc/47/92/31/1075479231.db2.gz KVAJCECBDUVCCL-XJKSGUPXSA-N 1 1 401.467 1.381 20 0 HDADMO CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2)n1 ZINC000676278948 1075479234 /nfs/dbraw/zinc/47/92/34/1075479234.db2.gz KVAJCECBDUVCCL-XJKSGUPXSA-N 1 1 401.467 1.381 20 0 HDADMO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676278765 1075479765 /nfs/dbraw/zinc/47/97/65/1075479765.db2.gz JPVZHROQWZOQJR-DOTOQJQBSA-N 1 1 402.495 1.005 20 0 HDADMO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676278765 1075479771 /nfs/dbraw/zinc/47/97/71/1075479771.db2.gz JPVZHROQWZOQJR-DOTOQJQBSA-N 1 1 402.495 1.005 20 0 HDADMO COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1Br ZINC000676278665 1075480454 /nfs/dbraw/zinc/48/04/54/1075480454.db2.gz JTAVEZCUWARAGL-YGRLFVJLSA-N 1 1 400.273 1.232 20 0 HDADMO COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1Br ZINC000676278665 1075480457 /nfs/dbraw/zinc/48/04/57/1075480457.db2.gz JTAVEZCUWARAGL-YGRLFVJLSA-N 1 1 400.273 1.232 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1NC(=O)c1ccco1 ZINC000676278408 1075481286 /nfs/dbraw/zinc/48/12/86/1075481286.db2.gz HMRGXPBABWWSCN-KDOFPFPSSA-N 1 1 414.462 1.614 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1NC(=O)c1ccco1 ZINC000676278408 1075481292 /nfs/dbraw/zinc/48/12/92/1075481292.db2.gz HMRGXPBABWWSCN-KDOFPFPSSA-N 1 1 414.462 1.614 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280049 1075482609 /nfs/dbraw/zinc/48/26/09/1075482609.db2.gz QTMQFKUFZWJKDH-GUYCJALGSA-N 1 1 402.426 1.787 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280049 1075482612 /nfs/dbraw/zinc/48/26/12/1075482612.db2.gz QTMQFKUFZWJKDH-GUYCJALGSA-N 1 1 402.426 1.787 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676280059 1075482732 /nfs/dbraw/zinc/48/27/32/1075482732.db2.gz QWJCQENOHDWICD-KBXCAEBGSA-N 1 1 402.495 1.133 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280059 1075482739 /nfs/dbraw/zinc/48/27/39/1075482739.db2.gz QWJCQENOHDWICD-KBXCAEBGSA-N 1 1 402.495 1.133 20 0 HDADMO CC[C@H](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434910991 1075483973 /nfs/dbraw/zinc/48/39/73/1075483973.db2.gz GDCJVZDZQXKACY-JSGCOSHPSA-N 1 1 402.499 2.226 20 0 HDADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676280879 1075485552 /nfs/dbraw/zinc/48/55/52/1075485552.db2.gz UQMCQBAXXDYULE-ABAIWWIYSA-N 1 1 414.300 1.622 20 0 HDADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280879 1075485561 /nfs/dbraw/zinc/48/55/61/1075485561.db2.gz UQMCQBAXXDYULE-ABAIWWIYSA-N 1 1 414.300 1.622 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280493 1075486689 /nfs/dbraw/zinc/48/66/89/1075486689.db2.gz IVZUPAQMBARETR-DYVFJYSZSA-N 1 1 400.435 1.306 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280493 1075486694 /nfs/dbraw/zinc/48/66/94/1075486694.db2.gz IVZUPAQMBARETR-DYVFJYSZSA-N 1 1 400.435 1.306 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676281218 1075487933 /nfs/dbraw/zinc/48/79/33/1075487933.db2.gz XZCCYDZEAVUKGG-WOCWXWTJSA-N 1 1 418.538 1.070 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281218 1075487938 /nfs/dbraw/zinc/48/79/38/1075487938.db2.gz XZCCYDZEAVUKGG-WOCWXWTJSA-N 1 1 418.538 1.070 20 0 HDADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1)C(C)C ZINC000676281790 1075488186 /nfs/dbraw/zinc/48/81/86/1075488186.db2.gz WPJLZMGMEPLGGV-BEFAXECRSA-N 1 1 404.511 1.217 20 0 HDADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1)C(C)C ZINC000676281790 1075488193 /nfs/dbraw/zinc/48/81/93/1075488193.db2.gz WPJLZMGMEPLGGV-BEFAXECRSA-N 1 1 404.511 1.217 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676281829 1075488280 /nfs/dbraw/zinc/48/82/80/1075488280.db2.gz XNSWSUXRNHRSGD-XJKSGUPXSA-N 1 1 403.508 1.345 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281829 1075488287 /nfs/dbraw/zinc/48/82/87/1075488287.db2.gz XNSWSUXRNHRSGD-XJKSGUPXSA-N 1 1 403.508 1.345 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1C[N@H+](C)CCO1 ZINC000676282790 1075489682 /nfs/dbraw/zinc/48/96/82/1075489682.db2.gz VQANURXLKJBNHN-JCKWVBRZSA-N 1 1 409.458 1.157 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000676282790 1075489690 /nfs/dbraw/zinc/48/96/90/1075489690.db2.gz VQANURXLKJBNHN-JCKWVBRZSA-N 1 1 409.458 1.157 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1C[N@H+](C)CCO1 ZINC000676283348 1075490332 /nfs/dbraw/zinc/49/03/32/1075490332.db2.gz YTFMLKBXLZKBQC-RDTXWAMCSA-N 1 1 403.479 1.892 20 0 HDADMO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1C[N@@H+](C)CCO1 ZINC000676283348 1075490334 /nfs/dbraw/zinc/49/03/34/1075490334.db2.gz YTFMLKBXLZKBQC-RDTXWAMCSA-N 1 1 403.479 1.892 20 0 HDADMO C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676286752 1075491507 /nfs/dbraw/zinc/49/15/07/1075491507.db2.gz FFKXIKPMBOUHTP-VYDXJSESSA-N 1 1 406.552 1.634 20 0 HDADMO C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676286752 1075491511 /nfs/dbraw/zinc/49/15/11/1075491511.db2.gz FFKXIKPMBOUHTP-VYDXJSESSA-N 1 1 406.552 1.634 20 0 HDADMO C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1C[N@H+](C)CCO1 ZINC000676307349 1075493230 /nfs/dbraw/zinc/49/32/30/1075493230.db2.gz PBJLLPNUAZIIJZ-BDJLRTHQSA-N 1 1 401.410 1.877 20 0 HDADMO C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000676307349 1075493233 /nfs/dbraw/zinc/49/32/33/1075493233.db2.gz PBJLLPNUAZIIJZ-BDJLRTHQSA-N 1 1 401.410 1.877 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000429419247 1075493513 /nfs/dbraw/zinc/49/35/13/1075493513.db2.gz SLTJPYYCHQFQQI-GFCCVEGCSA-N 1 1 424.445 1.058 20 0 HDADMO C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@H+]1CCO ZINC000429419247 1075493517 /nfs/dbraw/zinc/49/35/17/1075493517.db2.gz SLTJPYYCHQFQQI-GFCCVEGCSA-N 1 1 424.445 1.058 20 0 HDADMO O=C(COc1ccc(Cl)cc1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676308541 1075493979 /nfs/dbraw/zinc/49/39/79/1075493979.db2.gz JCCLOYFORDWZLS-UHFFFAOYSA-N 1 1 417.897 1.694 20 0 HDADMO COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@@H+]2C2CC2)c1 ZINC000569397410 1075494336 /nfs/dbraw/zinc/49/43/36/1075494336.db2.gz IVYLUCPUKHFMRP-GHTZIAJQSA-N 1 1 423.517 2.339 20 0 HDADMO COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC[N@H+]2C2CC2)c1 ZINC000569397410 1075494338 /nfs/dbraw/zinc/49/43/38/1075494338.db2.gz IVYLUCPUKHFMRP-GHTZIAJQSA-N 1 1 423.517 2.339 20 0 HDADMO COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676289593 1075494458 /nfs/dbraw/zinc/49/44/58/1075494458.db2.gz GFZCUSGRIZYQBQ-GUYCJALGSA-N 1 1 405.524 1.512 20 0 HDADMO COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289593 1075494465 /nfs/dbraw/zinc/49/44/65/1075494465.db2.gz GFZCUSGRIZYQBQ-GUYCJALGSA-N 1 1 405.524 1.512 20 0 HDADMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000676289334 1075494981 /nfs/dbraw/zinc/49/49/81/1075494981.db2.gz FKIQOTWSIXWTGR-QRVBRYPASA-N 1 1 423.579 1.600 20 0 HDADMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000676289334 1075494982 /nfs/dbraw/zinc/49/49/82/1075494982.db2.gz FKIQOTWSIXWTGR-QRVBRYPASA-N 1 1 423.579 1.600 20 0 HDADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)cc2Cl)CC1 ZINC000731766297 1075500789 /nfs/dbraw/zinc/50/07/89/1075500789.db2.gz XISQXWMNCLLGAT-OAHLLOKOSA-N 1 1 424.929 1.200 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1 ZINC000676303749 1075502184 /nfs/dbraw/zinc/50/21/84/1075502184.db2.gz ARYVYEILFOIFKF-UHFFFAOYSA-N 1 1 405.524 1.956 20 0 HDADMO C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676303735 1075502314 /nfs/dbraw/zinc/50/23/14/1075502314.db2.gz HZWSQJHJUHWVID-KBXCAEBGSA-N 1 1 422.507 1.599 20 0 HDADMO C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303735 1075502315 /nfs/dbraw/zinc/50/23/15/1075502315.db2.gz HZWSQJHJUHWVID-KBXCAEBGSA-N 1 1 422.507 1.599 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676305510 1075503517 /nfs/dbraw/zinc/50/35/17/1075503517.db2.gz PMSDWCFJONNJGT-XJKSGUPXSA-N 1 1 412.893 1.666 20 0 HDADMO C[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676305510 1075503520 /nfs/dbraw/zinc/50/35/20/1075503520.db2.gz PMSDWCFJONNJGT-XJKSGUPXSA-N 1 1 412.893 1.666 20 0 HDADMO COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000676306501 1075504324 /nfs/dbraw/zinc/50/43/24/1075504324.db2.gz VDWJZULVNHOPIG-KBXCAEBGSA-N 1 1 407.511 1.542 20 0 HDADMO COc1cc2c(c(OC)c1OC)CCN(C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000676306501 1075504327 /nfs/dbraw/zinc/50/43/27/1075504327.db2.gz VDWJZULVNHOPIG-KBXCAEBGSA-N 1 1 407.511 1.542 20 0 HDADMO C[C@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676306926 1075504334 /nfs/dbraw/zinc/50/43/34/1075504334.db2.gz XCOCATXBMOTKGY-MGPUTAFESA-N 1 1 400.523 1.972 20 0 HDADMO C[C@H](NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306926 1075504338 /nfs/dbraw/zinc/50/43/38/1075504338.db2.gz XCOCATXBMOTKGY-MGPUTAFESA-N 1 1 400.523 1.972 20 0 HDADMO O=S(=O)(c1ccccc1)N1CCCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676308217 1075504699 /nfs/dbraw/zinc/50/46/99/1075504699.db2.gz MLHRINHHCGQJOS-UHFFFAOYSA-N 1 1 403.508 1.214 20 0 HDADMO C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306582 1075504767 /nfs/dbraw/zinc/50/47/67/1075504767.db2.gz LRHRGKZMNPKFGP-BBRMVZONSA-N 1 1 409.918 1.814 20 0 HDADMO C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306582 1075504771 /nfs/dbraw/zinc/50/47/71/1075504771.db2.gz LRHRGKZMNPKFGP-BBRMVZONSA-N 1 1 409.918 1.814 20 0 HDADMO C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676306585 1075504829 /nfs/dbraw/zinc/50/48/29/1075504829.db2.gz LRHRGKZMNPKFGP-XJKSGUPXSA-N 1 1 409.918 1.814 20 0 HDADMO C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306585 1075504834 /nfs/dbraw/zinc/50/48/34/1075504834.db2.gz LRHRGKZMNPKFGP-XJKSGUPXSA-N 1 1 409.918 1.814 20 0 HDADMO C[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307915 1075505271 /nfs/dbraw/zinc/50/52/71/1075505271.db2.gz SWKFZCPVBDFNHI-QAPCUYQASA-N 1 1 420.945 1.534 20 0 HDADMO C[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307915 1075505273 /nfs/dbraw/zinc/50/52/73/1075505273.db2.gz SWKFZCPVBDFNHI-QAPCUYQASA-N 1 1 420.945 1.534 20 0 HDADMO O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000676316920 1075506049 /nfs/dbraw/zinc/50/60/49/1075506049.db2.gz JFCQOUFWNWZEPS-FQEVSTJZSA-N 1 1 400.523 1.270 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc2)CC1 ZINC000676320189 1075507158 /nfs/dbraw/zinc/50/71/58/1075507158.db2.gz OBEXHWIGDJKEKO-KRWDZBQOSA-N 1 1 424.567 1.367 20 0 HDADMO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000676310818 1075508980 /nfs/dbraw/zinc/50/89/80/1075508980.db2.gz DOVULYNJJGEQQY-AWEZNQCLSA-N 1 1 401.433 1.940 20 0 HDADMO C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000731759545 1075513943 /nfs/dbraw/zinc/51/39/43/1075513943.db2.gz PFAZZQYTOJMNAR-MRXNPFEDSA-N 1 1 415.538 1.726 20 0 HDADMO CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)NS(C)(=O)=O ZINC000671717565 1075514333 /nfs/dbraw/zinc/51/43/33/1075514333.db2.gz FAKHHRUFNMGGJA-HNNXBMFYSA-N 1 1 403.495 1.588 20 0 HDADMO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000676341644 1075515217 /nfs/dbraw/zinc/51/52/17/1075515217.db2.gz BRFVIJZBMQEMIQ-MRXNPFEDSA-N 1 1 423.535 1.160 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000676347009 1075519362 /nfs/dbraw/zinc/51/93/62/1075519362.db2.gz FXYXDRSNEXJIAQ-FOIQADDNSA-N 1 1 419.522 1.204 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000676347009 1075519367 /nfs/dbraw/zinc/51/93/67/1075519367.db2.gz FXYXDRSNEXJIAQ-FOIQADDNSA-N 1 1 419.522 1.204 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000676347010 1075519389 /nfs/dbraw/zinc/51/93/89/1075519389.db2.gz FXYXDRSNEXJIAQ-MGPUTAFESA-N 1 1 419.522 1.204 20 0 HDADMO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000676347010 1075519395 /nfs/dbraw/zinc/51/93/95/1075519395.db2.gz FXYXDRSNEXJIAQ-MGPUTAFESA-N 1 1 419.522 1.204 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676332262 1075522101 /nfs/dbraw/zinc/52/21/01/1075522101.db2.gz KQPCIPHSWCVJOQ-QRTARXTBSA-N 1 1 411.449 1.728 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332262 1075522106 /nfs/dbraw/zinc/52/21/06/1075522106.db2.gz KQPCIPHSWCVJOQ-QRTARXTBSA-N 1 1 411.449 1.728 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676332376 1075523140 /nfs/dbraw/zinc/52/31/40/1075523140.db2.gz CFDGAGUROGJETM-CWFSZBLJSA-N 1 1 400.523 1.687 20 0 HDADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676332376 1075523145 /nfs/dbraw/zinc/52/31/45/1075523145.db2.gz CFDGAGUROGJETM-CWFSZBLJSA-N 1 1 400.523 1.687 20 0 HDADMO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000676333793 1075523394 /nfs/dbraw/zinc/52/33/94/1075523394.db2.gz OZDMMNLJKISBOC-CXAGYDPISA-N 1 1 405.524 1.512 20 0 HDADMO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000676333793 1075523401 /nfs/dbraw/zinc/52/34/01/1075523401.db2.gz OZDMMNLJKISBOC-CXAGYDPISA-N 1 1 405.524 1.512 20 0 HDADMO C[N@@H+](CCNC(=O)C1CCN(S(=O)(=O)c2ccoc2)CC1)Cc1ccccc1 ZINC000509407476 1075525032 /nfs/dbraw/zinc/52/50/32/1075525032.db2.gz KKDLJSYRFOOHHI-UHFFFAOYSA-N 1 1 405.520 1.929 20 0 HDADMO COC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC000429426948 1075526075 /nfs/dbraw/zinc/52/60/75/1075526075.db2.gz GPODPRWLRHFBEE-GFCCVEGCSA-N 1 1 419.400 1.945 20 0 HDADMO COC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC000429426948 1075526082 /nfs/dbraw/zinc/52/60/82/1075526082.db2.gz GPODPRWLRHFBEE-GFCCVEGCSA-N 1 1 419.400 1.945 20 0 HDADMO CN1C(=S)N=NC1C1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000731810394 1075527993 /nfs/dbraw/zinc/52/79/93/1075527993.db2.gz HUXRLFFQBKPUFR-GOSISDBHSA-N 1 1 414.579 1.799 20 0 HDADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)C1=O ZINC000731844072 1075529274 /nfs/dbraw/zinc/52/92/74/1075529274.db2.gz IXYFTTIMHJQUBE-FGZHOGPDSA-N 1 1 410.474 1.372 20 0 HDADMO CCOC(=O)C1C(CN2CCC[C@H]([NH+](C)C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000731847328 1075530697 /nfs/dbraw/zinc/53/06/97/1075530697.db2.gz HDRWQYZKLMMYFA-OXJNMPFZSA-N 1 1 416.522 1.892 20 0 HDADMO CCCOc1cccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000676359230 1075532218 /nfs/dbraw/zinc/53/22/18/1075532218.db2.gz MNPOQRROBYILLP-FQEVSTJZSA-N 1 1 404.555 1.724 20 0 HDADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 ZINC000731852313 1075534310 /nfs/dbraw/zinc/53/43/10/1075534310.db2.gz NGLFKSGBHNYTHR-NSHDSACASA-N 1 1 416.341 1.571 20 0 HDADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 ZINC000731852319 1075534362 /nfs/dbraw/zinc/53/43/62/1075534362.db2.gz NRIDFZIYLYTZMY-UKRRQHHQSA-N 1 1 415.943 1.479 20 0 HDADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000676370420 1075536039 /nfs/dbraw/zinc/53/60/39/1075536039.db2.gz GZRVCACQBCKHLT-GOSISDBHSA-N 1 1 410.474 1.831 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@@H](OCCO)C3)cc2)CC1 ZINC000676376532 1075537320 /nfs/dbraw/zinc/53/73/20/1075537320.db2.gz RUKIZMPVMLZOJK-LJQANCHMSA-N 1 1 404.511 1.470 20 0 HDADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)cc1F ZINC000448504100 1075541817 /nfs/dbraw/zinc/54/18/17/1075541817.db2.gz HEBLDXVXLLBSOM-UHFFFAOYSA-N 1 1 424.358 2.334 20 0 HDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc(C(C)C)nc21 ZINC000676400476 1075543840 /nfs/dbraw/zinc/54/38/40/1075543840.db2.gz FMNKKHALTXMQJU-CJNGLKHVSA-N 1 1 417.510 1.479 20 0 HDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc(C(C)C)nc21 ZINC000676400476 1075543845 /nfs/dbraw/zinc/54/38/45/1075543845.db2.gz FMNKKHALTXMQJU-CJNGLKHVSA-N 1 1 417.510 1.479 20 0 HDADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731838044 1075544734 /nfs/dbraw/zinc/54/47/34/1075544734.db2.gz SVEZMYDOVLVQQJ-KRWDZBQOSA-N 1 1 404.898 1.751 20 0 HDADMO CC(C)(C)C[N@@H+](CCO)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000731843256 1075547746 /nfs/dbraw/zinc/54/77/46/1075547746.db2.gz NIGBWKISFRMELY-OAQYLSRUSA-N 1 1 404.511 1.301 20 0 HDADMO O=C(CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O ZINC000731842898 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CON(C)C(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164801154 721584495 /nfs/dbraw/zinc/58/44/95/721584495.db2.gz DSFVADUEKJZOAB-IRFCIJBXSA-N 1 1 411.506 1.978 20 0 HDADMO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)nc(C)[nH+]4)CCO3)C2)cs1 ZINC001164925529 721823865 /nfs/dbraw/zinc/82/38/65/721823865.db2.gz RTTFUNWDKORQBF-HXUWFJFHSA-N 1 1 418.567 1.724 20 0 HDADMO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]cnc5c4ccn5C)CCO3)C2)cs1 ZINC001164922065 721824406 /nfs/dbraw/zinc/82/44/06/721824406.db2.gz CCUHFVLIMGIUSG-HXUWFJFHSA-N 1 1 414.535 1.841 20 0 HDADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@H]21 ZINC001165026684 721828385 /nfs/dbraw/zinc/82/83/85/721828385.db2.gz PGFOJBUSDUYRAZ-DJIMGWMZSA-N 1 1 402.524 1.256 20 0 HDADMO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164927332 721836932 /nfs/dbraw/zinc/83/69/32/721836932.db2.gz UAALPETVGSPKIF-XMSQKQJNSA-N 1 1 424.553 1.283 20 0 HDADMO 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CCN(CC)c1ccnc([C@@H]2COCCN2c2ccnc(N3CC[NH+](C)CC3)n2)n1 ZINC001164998432 722227524 /nfs/dbraw/zinc/22/75/24/722227524.db2.gz BYJKQJBBGHDGES-KRWDZBQOSA-N 1 1 412.542 1.443 20 0 HDADMO Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1N1CCCC1 ZINC001164996503 722228670 /nfs/dbraw/zinc/22/86/70/722228670.db2.gz ILWSNUHKNXQJFR-UHFFFAOYSA-N 1 1 408.554 1.532 20 0 HDADMO COc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2ccccc21 ZINC001164996248 722234984 /nfs/dbraw/zinc/23/49/84/722234984.db2.gz AGROFCQSSMGMIY-UHFFFAOYSA-N 1 1 405.506 1.785 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ncn4C2CC2)CC3)CC1 ZINC001165002287 722238047 /nfs/dbraw/zinc/23/80/47/722238047.db2.gz SRAXMOKLQBVFEZ-UHFFFAOYSA-N 1 1 405.510 1.308 20 0 HDADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000429044444 1073456882 /nfs/dbraw/zinc/45/68/82/1073456882.db2.gz UIZMCLQOOJSHKV-KNQAVFIVSA-N 1 1 400.523 1.589 20 0 HDADMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC ZINC000509071384 1073457624 /nfs/dbraw/zinc/45/76/24/1073457624.db2.gz PVEZJZZMSQGCGP-GDBMZVCRSA-N 1 1 413.540 1.367 20 0 HDADMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC ZINC000509071384 1073457627 /nfs/dbraw/zinc/45/76/27/1073457627.db2.gz PVEZJZZMSQGCGP-GDBMZVCRSA-N 1 1 413.540 1.367 20 0 HDADMO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1nnnn1CC(F)(F)F)CC2 ZINC000429059925 1073494576 /nfs/dbraw/zinc/49/45/76/1073494576.db2.gz KXALDBFQSLTKAK-UHFFFAOYSA-N 1 1 401.389 1.862 20 0 HDADMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1nnnn1CC(F)(F)F)CC2 ZINC000429059925 1073494582 /nfs/dbraw/zinc/49/45/82/1073494582.db2.gz KXALDBFQSLTKAK-UHFFFAOYSA-N 1 1 401.389 1.862 20 0 HDADMO O=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000673644937 1073505437 /nfs/dbraw/zinc/50/54/37/1073505437.db2.gz VZOFYHWNAQZFBO-INIZCTEOSA-N 1 1 400.508 1.775 20 0 HDADMO O=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000673644937 1073505444 /nfs/dbraw/zinc/50/54/44/1073505444.db2.gz VZOFYHWNAQZFBO-INIZCTEOSA-N 1 1 400.508 1.775 20 0 HDADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001299282135 1073526334 /nfs/dbraw/zinc/52/63/34/1073526334.db2.gz YTLMTQWEEZGRSY-KRWDZBQOSA-N 1 1 417.531 1.650 20 0 HDADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001299282135 1073526343 /nfs/dbraw/zinc/52/63/43/1073526343.db2.gz YTLMTQWEEZGRSY-KRWDZBQOSA-N 1 1 417.531 1.650 20 0 HDADMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429081707 1073527074 /nfs/dbraw/zinc/52/70/74/1073527074.db2.gz PWAHOZAEANDCIZ-BRWVUGGUSA-N 1 1 400.531 1.369 20 0 HDADMO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1)C(C)C ZINC000625163206 1073527114 /nfs/dbraw/zinc/52/71/14/1073527114.db2.gz PCYMIJKEVBSFTR-UHFFFAOYSA-N 1 1 410.584 1.224 20 0 HDADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429088550 1073539319 /nfs/dbraw/zinc/53/93/19/1073539319.db2.gz SYZZCFCAHDDRGY-MSOLQXFVSA-N 1 1 414.558 1.618 20 0 HDADMO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000625183282 1073543289 /nfs/dbraw/zinc/54/32/89/1073543289.db2.gz MNOIULJLIFGGBU-IBGZPJMESA-N 1 1 423.579 1.948 20 0 HDADMO O=C(CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21 ZINC000625190512 1073557942 /nfs/dbraw/zinc/55/79/42/1073557942.db2.gz QHGKOBXSPRZWHG-KRWDZBQOSA-N 1 1 414.506 1.465 20 0 HDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@](C)(O)Cc2ccccc2)cc1 ZINC000673658531 1073602556 /nfs/dbraw/zinc/60/25/56/1073602556.db2.gz NHNDGIHNYOEOJB-DEOSSOPVSA-N 1 1 424.545 1.829 20 0 HDADMO COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1F ZINC000766018301 1073620279 /nfs/dbraw/zinc/62/02/79/1073620279.db2.gz DLEFDINOSKGPHT-MRXNPFEDSA-N 1 1 407.446 1.774 20 0 HDADMO CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673668854 1073623121 /nfs/dbraw/zinc/62/31/21/1073623121.db2.gz BFRLDPVITNZQCO-AZUAARDMSA-N 1 1 412.534 1.132 20 0 HDADMO CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673668854 1073623124 /nfs/dbraw/zinc/62/31/24/1073623124.db2.gz BFRLDPVITNZQCO-AZUAARDMSA-N 1 1 412.534 1.132 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000673715627 1073653537 /nfs/dbraw/zinc/65/35/37/1073653537.db2.gz HSGXVTYDDFMEEQ-SFHVURJKSA-N 1 1 402.520 1.479 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000673716270 1073655237 /nfs/dbraw/zinc/65/52/37/1073655237.db2.gz QSXDWJSMZXRDPI-FQEVSTJZSA-N 1 1 410.518 1.770 20 0 HDADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(Cn4cncn4)cc3)c2)CC1 ZINC000673729287 1073662660 /nfs/dbraw/zinc/66/26/60/1073662660.db2.gz VPODTNBBBXEPSI-UHFFFAOYSA-N 1 1 418.501 1.895 20 0 HDADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673741354 1073674390 /nfs/dbraw/zinc/67/43/90/1073674390.db2.gz WMGCGALITNZKSD-NVXWUHKLSA-N 1 1 412.538 1.308 20 0 HDADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673741354 1073674392 /nfs/dbraw/zinc/67/43/92/1073674392.db2.gz WMGCGALITNZKSD-NVXWUHKLSA-N 1 1 412.538 1.308 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CC2)C1 ZINC000673742052 1073676199 /nfs/dbraw/zinc/67/61/99/1073676199.db2.gz IWQMLVKNRPBLCE-FQEVSTJZSA-N 1 1 416.570 1.184 20 0 HDADMO CC[N@H+](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@H]1CCOC1 ZINC000673755098 1073690029 /nfs/dbraw/zinc/69/00/29/1073690029.db2.gz RXQXOQSJUBMFES-HXUWFJFHSA-N 1 1 416.566 1.745 20 0 HDADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429120554 1073693656 /nfs/dbraw/zinc/69/36/56/1073693656.db2.gz HFFCXQJHCVCSFS-CQSZACIVSA-N 1 1 406.483 1.498 20 0 HDADMO C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000673775364 1073708584 /nfs/dbraw/zinc/70/85/84/1073708584.db2.gz GQJPHLRWGXHGTF-KRWDZBQOSA-N 1 1 411.572 1.031 20 0 HDADMO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1 ZINC000509138980 1073712604 /nfs/dbraw/zinc/71/26/04/1073712604.db2.gz OICMTJAUJJGIOL-IBGZPJMESA-N 1 1 404.536 1.967 20 0 HDADMO C[C@@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777944 1073734117 /nfs/dbraw/zinc/73/41/17/1073734117.db2.gz QGZSXZTYRSLDBV-UNMCSNQZSA-N 1 1 417.598 1.603 20 0 HDADMO C[C@@H](CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777944 1073734127 /nfs/dbraw/zinc/73/41/27/1073734127.db2.gz QGZSXZTYRSLDBV-UNMCSNQZSA-N 1 1 417.598 1.603 20 0 HDADMO CN(CCCNC(=O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000429134879 1073741780 /nfs/dbraw/zinc/74/17/80/1073741780.db2.gz LLEOVCKXQIBOOK-MRXNPFEDSA-N 1 1 420.000 1.904 20 0 HDADMO CN(CCCNC(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000429134879 1073741789 /nfs/dbraw/zinc/74/17/89/1073741789.db2.gz LLEOVCKXQIBOOK-MRXNPFEDSA-N 1 1 420.000 1.904 20 0 HDADMO COc1cc(C[NH2+]Cc2csc(N(C)C)n2)ccc1OCC(=O)N1CCOCC1 ZINC000673811277 1073755873 /nfs/dbraw/zinc/75/58/73/1073755873.db2.gz STQGIOZJDMEGND-UHFFFAOYSA-N 1 1 420.535 1.745 20 0 HDADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000509157432 1073785182 /nfs/dbraw/zinc/78/51/82/1073785182.db2.gz VUFWJWMUWQMVCS-FXAWDEMLSA-N 1 1 403.523 1.328 20 0 HDADMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1-n1cnnn1 ZINC000057261457 1073804471 /nfs/dbraw/zinc/80/44/71/1073804471.db2.gz WRVCLJJQVGQDDH-IBGZPJMESA-N 1 1 405.462 1.673 20 0 HDADMO Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)ccc1-n1cnnn1 ZINC000057261457 1073804481 /nfs/dbraw/zinc/80/44/81/1073804481.db2.gz WRVCLJJQVGQDDH-IBGZPJMESA-N 1 1 405.462 1.673 20 0 HDADMO CSc1nnc(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000429154124 1073805976 /nfs/dbraw/zinc/80/59/76/1073805976.db2.gz FRKWGMNLLOUKEH-UHFFFAOYSA-N 1 1 407.569 1.667 20 0 HDADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)c2)C1 ZINC000673837996 1073812802 /nfs/dbraw/zinc/81/28/02/1073812802.db2.gz QNLWEMLSRKMMAG-UXHICEINSA-N 1 1 422.533 1.459 20 0 HDADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000057322845 1073816373 /nfs/dbraw/zinc/81/63/73/1073816373.db2.gz KJYHCTSCCLFVKN-TZIWHRDSSA-N 1 1 416.566 1.194 20 0 HDADMO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000057322842 1073816432 /nfs/dbraw/zinc/81/64/32/1073816432.db2.gz KJYHCTSCCLFVKN-FPOVZHCZSA-N 1 1 416.566 1.194 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000673872345 1073838165 /nfs/dbraw/zinc/83/81/65/1073838165.db2.gz FJGJIYBAYHGVHI-OAQYLSRUSA-N 1 1 412.538 1.954 20 0 HDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000466545656 1073838759 /nfs/dbraw/zinc/83/87/59/1073838759.db2.gz PHDCOHWKLUUEMO-HNAYVOBHSA-N 1 1 404.511 1.972 20 0 HDADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN(C(C)(C)CO)CC2)CC1 ZINC000673896204 1073866482 /nfs/dbraw/zinc/86/64/82/1073866482.db2.gz RAPLRSPLHRJRIZ-UHFFFAOYSA-N 1 1 402.583 1.418 20 0 HDADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCN(C(C)(C)CO)CC2)CC1 ZINC000673896204 1073866491 /nfs/dbraw/zinc/86/64/91/1073866491.db2.gz RAPLRSPLHRJRIZ-UHFFFAOYSA-N 1 1 402.583 1.418 20 0 HDADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4[nH]ccc4s2)C3)O1 ZINC001004821672 1073870160 /nfs/dbraw/zinc/87/01/60/1073870160.db2.gz ITKJVMYDOHSPMI-RIQILIMLSA-N 1 1 402.520 1.810 20 0 HDADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4[nH]ccc4s2)C3)O1 ZINC001004821672 1073870173 /nfs/dbraw/zinc/87/01/73/1073870173.db2.gz ITKJVMYDOHSPMI-RIQILIMLSA-N 1 1 402.520 1.810 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000673915454 1073886023 /nfs/dbraw/zinc/88/60/23/1073886023.db2.gz IXZWOPWGACFTFR-SFHVURJKSA-N 1 1 414.428 1.995 20 0 HDADMO C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000673938748 1073911548 /nfs/dbraw/zinc/91/15/48/1073911548.db2.gz DOEVOSQWICXGRF-KRWDZBQOSA-N 1 1 423.579 1.542 20 0 HDADMO CSc1nc2nc(C)c(CC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)c(C)n2n1 ZINC000026068236 1073929883 /nfs/dbraw/zinc/92/98/83/1073929883.db2.gz JYQKAVPUOWCTNN-INIZCTEOSA-N 1 1 420.583 1.869 20 0 HDADMO CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429173229 1073940325 /nfs/dbraw/zinc/94/03/25/1073940325.db2.gz ANUUJYNHJZAWAV-GOSISDBHSA-N 1 1 411.572 1.125 20 0 HDADMO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000429174476 1073942821 /nfs/dbraw/zinc/94/28/21/1073942821.db2.gz YRZQOMXVKKWQMT-DLBZAZTESA-N 1 1 403.593 1.115 20 0 HDADMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000429179299 1073966943 /nfs/dbraw/zinc/96/69/43/1073966943.db2.gz FXJDQFLWTBQSRW-SFHVURJKSA-N 1 1 407.946 1.771 20 0 HDADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@@H](O)C1 ZINC000670441355 1073967866 /nfs/dbraw/zinc/96/78/66/1073967866.db2.gz NYSGDIGOZXMZFU-BHIFYINESA-N 1 1 407.514 1.754 20 0 HDADMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000543520679 1073990195 /nfs/dbraw/zinc/99/01/95/1073990195.db2.gz DMMZXQBTFABDRX-NSHDSACASA-N 1 1 408.446 1.651 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543522719 1073992211 /nfs/dbraw/zinc/99/22/11/1073992211.db2.gz PBUVXEXFPFADKH-UHFFFAOYSA-N 1 1 408.612 1.786 20 0 HDADMO CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000509187973 1073994549 /nfs/dbraw/zinc/99/45/49/1073994549.db2.gz YLLUIMWELGAZRH-MSOLQXFVSA-N 1 1 400.527 1.844 20 0 HDADMO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452968 1074011255 /nfs/dbraw/zinc/01/12/55/1074011255.db2.gz NXQUIFGALMYAOP-OPYAIIAOSA-N 1 1 407.530 1.373 20 0 HDADMO C[C@@H]1C[NH+](C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452968 1074011264 /nfs/dbraw/zinc/01/12/64/1074011264.db2.gz NXQUIFGALMYAOP-OPYAIIAOSA-N 1 1 407.530 1.373 20 0 HDADMO CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC001299292256 1074047043 /nfs/dbraw/zinc/04/70/43/1074047043.db2.gz UGFDOKHAHMKHSG-YOEHRIQHSA-N 1 1 404.540 1.216 20 0 HDADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545300 1074058634 /nfs/dbraw/zinc/05/86/34/1074058634.db2.gz JWMCNMJYFNZDOR-MJGOQNOKSA-N 1 1 400.527 1.391 20 0 HDADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)C[C@H](C)O1 ZINC000429198241 1074061085 /nfs/dbraw/zinc/06/10/85/1074061085.db2.gz RBGQUOMXFPKXBU-JTDSTZFVSA-N 1 1 400.523 1.858 20 0 HDADMO COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000466600873 1074063006 /nfs/dbraw/zinc/06/30/06/1074063006.db2.gz YIKVXOXXEMRXCR-WMZOPIPTSA-N 1 1 400.527 1.949 20 0 HDADMO CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC000429200673 1074065010 /nfs/dbraw/zinc/06/50/10/1074065010.db2.gz QQJWHNQLBRWNSH-HZPDHXFCSA-N 1 1 420.514 1.890 20 0 HDADMO 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SZWBPZYRZGPWEM-BFUOFWGJSA-N 1 1 417.535 1.491 20 0 HDADMO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000429326478 1074777214 /nfs/dbraw/zinc/77/72/14/1074777214.db2.gz DLHQYYIYAPNWOB-LLVKDONJSA-N 1 1 400.273 1.766 20 0 HDADMO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000429326478 1074777221 /nfs/dbraw/zinc/77/72/21/1074777221.db2.gz DLHQYYIYAPNWOB-LLVKDONJSA-N 1 1 400.273 1.766 20 0 HDADMO CCC(CC)(CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)OC ZINC000572863136 1074778972 /nfs/dbraw/zinc/77/89/72/1074778972.db2.gz PBMUGQHTQKYKNE-UHFFFAOYSA-N 1 1 418.498 1.607 20 0 HDADMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nn1-c1ccc(F)cc1F ZINC000580495123 1074779035 /nfs/dbraw/zinc/77/90/35/1074779035.db2.gz RCNLNUNKAFMDIJ-ZBEGNZNMSA-N 1 1 403.433 1.996 20 0 HDADMO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000675280594 1074785714 /nfs/dbraw/zinc/78/57/14/1074785714.db2.gz JWIYDIHYQNMNPU-GOSISDBHSA-N 1 1 409.552 1.213 20 0 HDADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000477092943 1074791391 /nfs/dbraw/zinc/79/13/91/1074791391.db2.gz DDBTZSLMZBTSFX-IAGOWNOFSA-N 1 1 421.561 1.601 20 0 HDADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000477092951 1074791848 /nfs/dbraw/zinc/79/18/48/1074791848.db2.gz DDBTZSLMZBTSFX-SJORKVTESA-N 1 1 421.561 1.601 20 0 HDADMO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675304716 1074794146 /nfs/dbraw/zinc/79/41/46/1074794146.db2.gz KRYVTTBYBSPGEN-VYDXJSESSA-N 1 1 404.898 1.305 20 0 HDADMO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000670510576 1075094170 /nfs/dbraw/zinc/09/41/70/1075094170.db2.gz QAVHIMZDBSOICW-UWJYYQICSA-N 1 1 416.566 1.795 20 0 HDADMO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1OC ZINC000671674985 1075099088 /nfs/dbraw/zinc/09/90/88/1075099088.db2.gz OOZGYCJAUCVSQZ-ZDUSSCGKSA-N 1 1 401.916 1.471 20 0 HDADMO CCCC[N@@H+](C)CC1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429334097 1075099139 /nfs/dbraw/zinc/09/91/39/1075099139.db2.gz SIWBVCINADFPIF-UHFFFAOYSA-N 1 1 415.560 1.248 20 0 HDADMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000546585147 1075102029 /nfs/dbraw/zinc/10/20/29/1075102029.db2.gz FIXQXWFNKHZZMX-ZBFHGGJFSA-N 1 1 404.471 2.196 20 0 HDADMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000546585147 1075102034 /nfs/dbraw/zinc/10/20/34/1075102034.db2.gz FIXQXWFNKHZZMX-ZBFHGGJFSA-N 1 1 404.471 2.196 20 0 HDADMO COc1ncnc(N(C)C)c1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000429335746 1075105470 /nfs/dbraw/zinc/10/54/70/1075105470.db2.gz ZBWZYBAMEDVJRY-OAQYLSRUSA-N 1 1 414.510 1.652 20 0 HDADMO Cc1cc(NC(=O)CN2CCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)no1 ZINC000519015074 1075109428 /nfs/dbraw/zinc/10/94/28/1075109428.db2.gz FRNSHRCXQMRXRG-INIZCTEOSA-N 1 1 420.558 1.759 20 0 HDADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCc1ccc(Cl)nc1 ZINC000785479172 1075115577 /nfs/dbraw/zinc/11/55/77/1075115577.db2.gz HJJZKOWIJFTYHW-UHFFFAOYSA-N 1 1 402.882 1.500 20 0 HDADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670513002 1075116020 /nfs/dbraw/zinc/11/60/20/1075116020.db2.gz DHVAHIPNWPGOJH-AWEZNQCLSA-N 1 1 415.456 1.668 20 0 HDADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670513002 1075116026 /nfs/dbraw/zinc/11/60/26/1075116026.db2.gz DHVAHIPNWPGOJH-AWEZNQCLSA-N 1 1 415.456 1.668 20 0 HDADMO CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]21 ZINC001299295607 1075124360 /nfs/dbraw/zinc/12/43/60/1075124360.db2.gz GIDLWMPDKBJOOQ-ROUUACIJSA-N 1 1 404.540 1.194 20 0 HDADMO CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]21 ZINC001299295607 1075124363 /nfs/dbraw/zinc/12/43/63/1075124363.db2.gz GIDLWMPDKBJOOQ-ROUUACIJSA-N 1 1 404.540 1.194 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)no1 ZINC000560251723 1075126738 /nfs/dbraw/zinc/12/67/38/1075126738.db2.gz UUFJVSPXCGJLSK-KRWDZBQOSA-N 1 1 402.520 2.040 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)no1 ZINC000560251723 1075126745 /nfs/dbraw/zinc/12/67/45/1075126745.db2.gz UUFJVSPXCGJLSK-KRWDZBQOSA-N 1 1 402.520 2.040 20 0 HDADMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000675405275 1075129272 /nfs/dbraw/zinc/12/92/72/1075129272.db2.gz YYCMOZZWKGWBCX-HKUYNNGSSA-N 1 1 413.522 1.784 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466676530 1075129597 /nfs/dbraw/zinc/12/95/97/1075129597.db2.gz AYWZQJJLUYTNEZ-MAUKXSAKSA-N 1 1 405.462 1.380 20 0 HDADMO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000675405756 1075130558 /nfs/dbraw/zinc/13/05/58/1075130558.db2.gz GOOUYAATCLHLMA-QZTJIDSGSA-N 1 1 411.506 1.612 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000675406069 1075130656 /nfs/dbraw/zinc/13/06/56/1075130656.db2.gz ASCHKROQFFRARC-SJORKVTESA-N 1 1 416.522 1.334 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1F ZINC000429345054 1075146356 /nfs/dbraw/zinc/14/63/56/1075146356.db2.gz BJXVYKVVFUULBB-KGLIPLIRSA-N 1 1 424.473 1.037 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1F ZINC000429345054 1075146358 /nfs/dbraw/zinc/14/63/58/1075146358.db2.gz BJXVYKVVFUULBB-KGLIPLIRSA-N 1 1 424.473 1.037 20 0 HDADMO COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000496014093 1075147950 /nfs/dbraw/zinc/14/79/50/1075147950.db2.gz PNUKCTFTLNDOHJ-HKUYNNGSSA-N 1 1 413.522 1.885 20 0 HDADMO Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670526990 1075154317 /nfs/dbraw/zinc/15/43/17/1075154317.db2.gz BGNGKZQTLSUYLP-GOSISDBHSA-N 1 1 417.554 1.277 20 0 HDADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000485860025 1075157908 /nfs/dbraw/zinc/15/79/08/1075157908.db2.gz BHPUOSDYXRIDPG-XQQFMLRXSA-N 1 1 409.478 1.149 20 0 HDADMO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1 ZINC000466679335 1075158926 /nfs/dbraw/zinc/15/89/26/1075158926.db2.gz BDJUEURVADNWCF-LPHOPBHVSA-N 1 1 419.489 1.688 20 0 HDADMO COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1-n1nnnc1C1CC1 ZINC000429349766 1075162497 /nfs/dbraw/zinc/16/24/97/1075162497.db2.gz NVJHEMFEIGJKAO-CYBMUJFWSA-N 1 1 401.471 1.079 20 0 HDADMO COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1-n1nnnc1C1CC1 ZINC000429349766 1075162501 /nfs/dbraw/zinc/16/25/01/1075162501.db2.gz NVJHEMFEIGJKAO-CYBMUJFWSA-N 1 1 401.471 1.079 20 0 HDADMO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc2O1 ZINC000675469200 1075163698 /nfs/dbraw/zinc/16/36/98/1075163698.db2.gz HNVFJTYCKSTIJJ-AWEZNQCLSA-N 1 1 410.517 1.608 20 0 HDADMO CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001299295685 1075164616 /nfs/dbraw/zinc/16/46/16/1075164616.db2.gz IIHOOXJIPJVWNB-RDJZCZTQSA-N 1 1 410.588 1.404 20 0 HDADMO CS(=O)(=O)C1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000675479899 1075170218 /nfs/dbraw/zinc/17/02/18/1075170218.db2.gz DXLUXYBYNLYJID-UHFFFAOYSA-N 1 1 422.595 1.413 20 0 HDADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481427 1075171359 /nfs/dbraw/zinc/17/13/59/1075171359.db2.gz FCYPARRWHKUXMQ-HNNXBMFYSA-N 1 1 415.460 1.947 20 0 HDADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481427 1075171364 /nfs/dbraw/zinc/17/13/64/1075171364.db2.gz FCYPARRWHKUXMQ-HNNXBMFYSA-N 1 1 415.460 1.947 20 0 HDADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000537439463 1075171498 /nfs/dbraw/zinc/17/14/98/1075171498.db2.gz JQSPSZOCIUKIPY-SFHVURJKSA-N 1 1 413.522 1.963 20 0 HDADMO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccn1 ZINC000766148392 1075174966 /nfs/dbraw/zinc/17/49/66/1075174966.db2.gz NRLFXJXHCBKVBB-ZWKOTPCHSA-N 1 1 404.511 1.778 20 0 HDADMO Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000509344886 1075178029 /nfs/dbraw/zinc/17/80/29/1075178029.db2.gz VIIFVKIIMDJXSZ-ZDUSSCGKSA-N 1 1 406.533 1.947 20 0 HDADMO CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675517610 1075184332 /nfs/dbraw/zinc/18/43/32/1075184332.db2.gz NIPUQDSVTQFHAI-ROUUACIJSA-N 1 1 411.568 1.500 20 0 HDADMO CC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675517610 1075184334 /nfs/dbraw/zinc/18/43/34/1075184334.db2.gz NIPUQDSVTQFHAI-ROUUACIJSA-N 1 1 411.568 1.500 20 0 HDADMO CCN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446861406 1075187310 /nfs/dbraw/zinc/18/73/10/1075187310.db2.gz LGICKNRKONKSKO-MRXNPFEDSA-N 1 1 423.439 2.507 20 0 HDADMO CCN(C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446847165 1075188088 /nfs/dbraw/zinc/18/80/88/1075188088.db2.gz JGJWAHSAAGFYHU-PKOBYXMFSA-N 1 1 413.522 2.152 20 0 HDADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466684766 1075195750 /nfs/dbraw/zinc/19/57/50/1075195750.db2.gz UPYVGAFUBPWEOO-KXBFYZLASA-N 1 1 419.489 1.688 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000466685140 1075201458 /nfs/dbraw/zinc/20/14/58/1075201458.db2.gz WBEOGFZTYONOPX-MAUKXSAKSA-N 1 1 415.515 1.808 20 0 HDADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)no1 ZINC000448253607 1075202328 /nfs/dbraw/zinc/20/23/28/1075202328.db2.gz XQPRWSMZCMDXEF-CQSZACIVSA-N 1 1 405.524 2.258 20 0 HDADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000675549443 1075206217 /nfs/dbraw/zinc/20/62/17/1075206217.db2.gz LFDGVDXLSGSSPU-UHFFFAOYSA-N 1 1 403.479 1.043 20 0 HDADMO Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2ccccn2)n1 ZINC000675581749 1075212636 /nfs/dbraw/zinc/21/26/36/1075212636.db2.gz IQGSRZVDNSUWSK-GOSISDBHSA-N 1 1 412.494 1.134 20 0 HDADMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000675583219 1075212907 /nfs/dbraw/zinc/21/29/07/1075212907.db2.gz GIPQQWIOPWNTGN-UHFFFAOYSA-N 1 1 406.531 1.092 20 0 HDADMO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000447474426 1075219826 /nfs/dbraw/zinc/21/98/26/1075219826.db2.gz WFXSGRRESCCTMS-OAHLLOKOSA-N 1 1 401.467 1.802 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@H+]1Cc1ccccc1 ZINC000466689133 1075221853 /nfs/dbraw/zinc/22/18/53/1075221853.db2.gz KJVSBIHNEAXESC-YJBOKZPZSA-N 1 1 405.462 1.380 20 0 HDADMO CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675606091 1075222639 /nfs/dbraw/zinc/22/26/39/1075222639.db2.gz VACWVDOOIMCINU-GMAHTHKFSA-N 1 1 414.594 1.811 20 0 HDADMO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466690895 1075227663 /nfs/dbraw/zinc/22/76/63/1075227663.db2.gz SCYRQCCODKUOBA-CRAIPNDOSA-N 1 1 424.501 1.773 20 0 HDADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CCO1 ZINC000675588828 1075228044 /nfs/dbraw/zinc/22/80/44/1075228044.db2.gz CRCJHZAVBWYVIQ-MRXNPFEDSA-N 1 1 411.506 1.769 20 0 HDADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CCO1 ZINC000675588828 1075228049 /nfs/dbraw/zinc/22/80/49/1075228049.db2.gz CRCJHZAVBWYVIQ-MRXNPFEDSA-N 1 1 411.506 1.769 20 0 HDADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C[C@@H]1C ZINC000446794888 1075236372 /nfs/dbraw/zinc/23/63/72/1075236372.db2.gz FCHZIDDDAZFGDP-LSDHHAIUSA-N 1 1 402.474 1.985 20 0 HDADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)[C@@H](C)C1 ZINC000441046131 1075237301 /nfs/dbraw/zinc/23/73/01/1075237301.db2.gz ACYVVFKYEGVTRN-LPHOPBHVSA-N 1 1 413.522 2.067 20 0 HDADMO CC[N@@H+]1CCc2nc(NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000021295835 1075237693 /nfs/dbraw/zinc/23/76/93/1075237693.db2.gz BOGGVRMHLSBOQE-UHFFFAOYSA-N 1 1 404.492 1.907 20 0 HDADMO CC[N@H+]1CCc2nc(NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000021295835 1075237695 /nfs/dbraw/zinc/23/76/95/1075237695.db2.gz BOGGVRMHLSBOQE-UHFFFAOYSA-N 1 1 404.492 1.907 20 0 HDADMO 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O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004704782 1073553844 /nfs/dbraw/zinc/55/38/44/1073553844.db2.gz IQPAWLNVYGPRFS-UJCQGIJZSA-N 1 1 419.485 1.552 20 0 HDADMO O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000625192154 1073558826 /nfs/dbraw/zinc/55/88/26/1073558826.db2.gz UODIQSLXRAESOT-IBGZPJMESA-N 1 1 421.563 1.798 20 0 HDADMO O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000673651823 1073573356 /nfs/dbraw/zinc/57/33/56/1073573356.db2.gz UYGCIJOHWRKGRP-KRWDZBQOSA-N 1 1 404.465 1.982 20 0 HDADMO O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000673651823 1073573363 /nfs/dbraw/zinc/57/33/63/1073573363.db2.gz UYGCIJOHWRKGRP-KRWDZBQOSA-N 1 1 404.465 1.982 20 0 HDADMO C[C@]1(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O ZINC000673654759 1073580498 /nfs/dbraw/zinc/58/04/98/1073580498.db2.gz CNLACNQDXHMRKL-XMSQKQJNSA-N 1 1 407.474 1.417 20 0 HDADMO C[C@]1(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)NC(=O)NC1=O ZINC000673654759 1073580507 /nfs/dbraw/zinc/58/05/07/1073580507.db2.gz CNLACNQDXHMRKL-XMSQKQJNSA-N 1 1 407.474 1.417 20 0 HDADMO CN(C(=O)c1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000509124178 1073613596 /nfs/dbraw/zinc/61/35/96/1073613596.db2.gz QODAKCCMTJGYAQ-INIZCTEOSA-N 1 1 408.462 1.853 20 0 HDADMO CCOC(=O)[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001128522242 1073617060 /nfs/dbraw/zinc/61/70/60/1073617060.db2.gz TYGBYNMBDXVKAG-AVYPCKFXSA-N 1 1 410.536 1.715 20 0 HDADMO NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673668358 1073621082 /nfs/dbraw/zinc/62/10/82/1073621082.db2.gz LGTYSPBLQPTEFY-MBSDFSHPSA-N 1 1 408.502 1.117 20 0 HDADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669470 1073621796 /nfs/dbraw/zinc/62/17/96/1073621796.db2.gz QZSNNMQLIBWQHV-INIZCTEOSA-N 1 1 414.554 1.508 20 0 HDADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669470 1073621798 /nfs/dbraw/zinc/62/17/98/1073621798.db2.gz QZSNNMQLIBWQHV-INIZCTEOSA-N 1 1 414.554 1.508 20 0 HDADMO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000673673626 1073629499 /nfs/dbraw/zinc/62/94/99/1073629499.db2.gz YBIKZLPEVZGWBK-MJGOQNOKSA-N 1 1 414.472 1.402 20 0 HDADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673675366 1073631016 /nfs/dbraw/zinc/63/10/16/1073631016.db2.gz NFECARCDHAXASX-CTNGQTDRSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673675366 1073631021 /nfs/dbraw/zinc/63/10/21/1073631021.db2.gz NFECARCDHAXASX-CTNGQTDRSA-N 1 1 408.550 1.768 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000673675366 1073631025 /nfs/dbraw/zinc/63/10/25/1073631025.db2.gz NFECARCDHAXASX-CTNGQTDRSA-N 1 1 408.550 1.768 20 0 HDADMO CNC(=O)CC1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC000673694833 1073637518 /nfs/dbraw/zinc/63/75/18/1073637518.db2.gz JSDUSVKGICPCBU-UHFFFAOYSA-N 1 1 410.522 1.552 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000673701855 1073644792 /nfs/dbraw/zinc/64/47/92/1073644792.db2.gz QYTKTEWSBQZYSG-CYBMUJFWSA-N 1 1 403.932 1.766 20 0 HDADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](CCO)CC(C)(C)C)CC1 ZINC000673754900 1073690224 /nfs/dbraw/zinc/69/02/24/1073690224.db2.gz JYHHJHSOTXLSQT-UHFFFAOYSA-N 1 1 418.582 1.727 20 0 HDADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000673757542 1073691899 /nfs/dbraw/zinc/69/18/99/1073691899.db2.gz CEAYZEYIHKHCIK-KRWDZBQOSA-N 1 1 417.531 1.836 20 0 HDADMO COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000429118688 1073692918 /nfs/dbraw/zinc/69/29/18/1073692918.db2.gz YRAWPAMTZOAKNF-OAHLLOKOSA-N 1 1 405.499 1.106 20 0 HDADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000509144342 1073721192 /nfs/dbraw/zinc/72/11/92/1073721192.db2.gz YGJGPEWEGZATPI-SFHVURJKSA-N 1 1 422.595 1.711 20 0 HDADMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000673792304 1073737358 /nfs/dbraw/zinc/73/73/58/1073737358.db2.gz ZNWSKDYQWDEOMF-RTBURBONSA-N 1 1 417.506 1.445 20 0 HDADMO CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000673792304 1073737362 /nfs/dbraw/zinc/73/73/62/1073737362.db2.gz ZNWSKDYQWDEOMF-RTBURBONSA-N 1 1 417.506 1.445 20 0 HDADMO CC(C)c1nc(S(=O)(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC000673821695 1073765304 /nfs/dbraw/zinc/76/53/04/1073765304.db2.gz PBQUHYPNEHLCGA-UHFFFAOYSA-N 1 1 405.568 1.971 20 0 HDADMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000673823667 1073767297 /nfs/dbraw/zinc/76/72/97/1073767297.db2.gz BHBVFTOQESNGJO-MRXNPFEDSA-N 1 1 423.560 1.619 20 0 HDADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000673823667 1073767301 /nfs/dbraw/zinc/76/73/01/1073767301.db2.gz BHBVFTOQESNGJO-MRXNPFEDSA-N 1 1 423.560 1.619 20 0 HDADMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673815950 1073771709 /nfs/dbraw/zinc/77/17/09/1073771709.db2.gz GRJFSYYHUQINPX-OAQYLSRUSA-N 1 1 408.550 1.899 20 0 HDADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000673840942 1073806853 /nfs/dbraw/zinc/80/68/53/1073806853.db2.gz SFLKRVNXXPHNHG-GOSISDBHSA-N 1 1 409.458 1.893 20 0 HDADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000673840942 1073806868 /nfs/dbraw/zinc/80/68/68/1073806868.db2.gz SFLKRVNXXPHNHG-GOSISDBHSA-N 1 1 409.458 1.893 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1csc(N(C)C)n1 ZINC000673852203 1073817420 /nfs/dbraw/zinc/81/74/20/1073817420.db2.gz WHMTVCXLBWBZGV-OAHLLOKOSA-N 1 1 403.556 1.614 20 0 HDADMO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000673844722 1073819478 /nfs/dbraw/zinc/81/94/78/1073819478.db2.gz JFKQSTOBVZKNEI-OAHLLOKOSA-N 1 1 400.516 1.994 20 0 HDADMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000543492963 1073822380 /nfs/dbraw/zinc/82/23/80/1073822380.db2.gz DHFJBHHDAJMIET-NRFANRHFSA-N 1 1 416.566 1.290 20 0 HDADMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000673860546 1073828438 /nfs/dbraw/zinc/82/84/38/1073828438.db2.gz ZYWYAEIDCQTJSV-UHFFFAOYSA-N 1 1 409.556 1.275 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000673884351 1073856706 /nfs/dbraw/zinc/85/67/06/1073856706.db2.gz XGAAJYVJIVBBTJ-UXHICEINSA-N 1 1 400.523 1.682 20 0 HDADMO Cc1cc(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000673896007 1073867113 /nfs/dbraw/zinc/86/71/13/1073867113.db2.gz NZXPAAYIXDZASI-KRWDZBQOSA-N 1 1 411.568 1.036 20 0 HDADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000140786331 1073924547 /nfs/dbraw/zinc/92/45/47/1073924547.db2.gz LTXQZVTUCHVJNL-QGZVFWFLSA-N 1 1 418.542 1.362 20 0 HDADMO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000429172568 1073934227 /nfs/dbraw/zinc/93/42/27/1073934227.db2.gz RNPHUEYSAVJXEH-WMZOPIPTSA-N 1 1 409.552 1.953 20 0 HDADMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000429172568 1073934230 /nfs/dbraw/zinc/93/42/30/1073934230.db2.gz RNPHUEYSAVJXEH-WMZOPIPTSA-N 1 1 409.552 1.953 20 0 HDADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429172824 1073940764 /nfs/dbraw/zinc/94/07/64/1073940764.db2.gz SIVRVMBIQYVXTG-HOTGVXAUSA-N 1 1 422.551 1.422 20 0 HDADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429172824 1073940765 /nfs/dbraw/zinc/94/07/65/1073940765.db2.gz SIVRVMBIQYVXTG-HOTGVXAUSA-N 1 1 422.551 1.422 20 0 HDADMO C[C@@]1(c2ccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2)NC(=O)NC1=O ZINC000673963167 1073946695 /nfs/dbraw/zinc/94/66/95/1073946695.db2.gz GGROPKOANXOJNL-UWJYYQICSA-N 1 1 400.479 1.068 20 0 HDADMO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC(C)(C)[NH+]3CCN(C)CC3)C2)c1 ZINC000673970128 1073956104 /nfs/dbraw/zinc/95/61/04/1073956104.db2.gz FSLFGOSFUZBBSJ-QGZVFWFLSA-N 1 1 419.570 1.608 20 0 HDADMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000030921587 1073977851 /nfs/dbraw/zinc/97/78/51/1073977851.db2.gz ZNGXINFIQHCMFZ-HDICACEKSA-N 1 1 423.579 1.896 20 0 HDADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000466574817 1073992628 /nfs/dbraw/zinc/99/26/28/1073992628.db2.gz QFVBPEJCZOJUTJ-HOJAQTOUSA-N 1 1 401.555 1.931 20 0 HDADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429184371 1074000545 /nfs/dbraw/zinc/00/05/45/1074000545.db2.gz BFZQFASZJWJEBF-LJQANCHMSA-N 1 1 401.559 1.257 20 0 HDADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000484452966 1074011423 /nfs/dbraw/zinc/01/14/23/1074011423.db2.gz NXQUIFGALMYAOP-LVCYWYKZSA-N 1 1 407.530 1.373 20 0 HDADMO 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IJCQKQGZPBPRNU-HNNXBMFYSA-N 1 1 405.524 1.919 20 0 HDADMO COCCCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n1 ZINC000674762805 1074557126 /nfs/dbraw/zinc/55/71/26/1074557126.db2.gz ZDEQKPUIQRVPJF-UHFFFAOYSA-N 1 1 413.522 1.901 20 0 HDADMO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccn1 ZINC000674764272 1074558199 /nfs/dbraw/zinc/55/81/99/1074558199.db2.gz UKHTVXWMNDRLDW-SFHVURJKSA-N 1 1 409.490 1.455 20 0 HDADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)C1 ZINC000674763775 1074559174 /nfs/dbraw/zinc/55/91/74/1074559174.db2.gz IPLYYTFYDBMISU-IBGZPJMESA-N 1 1 404.474 1.939 20 0 HDADMO CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000674764906 1074559570 /nfs/dbraw/zinc/55/95/70/1074559570.db2.gz MMJDSQCHEAMBMQ-GOSISDBHSA-N 1 1 423.517 1.750 20 0 HDADMO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000674869195 1074596746 /nfs/dbraw/zinc/59/67/46/1074596746.db2.gz CADQFSOZSJVWET-LJQANCHMSA-N 1 1 401.555 1.979 20 0 HDADMO COCCOc1cc(C)ccc1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000674879360 1074599912 /nfs/dbraw/zinc/59/99/12/1074599912.db2.gz CYGFNNXOMWEPSX-HXUWFJFHSA-N 1 1 404.555 1.942 20 0 HDADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC001128871529 1074612098 /nfs/dbraw/zinc/61/20/98/1074612098.db2.gz PGORYSSGMSNISC-IIBYNOLFSA-N 1 1 402.495 1.405 20 0 HDADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000674914097 1074613103 /nfs/dbraw/zinc/61/31/03/1074613103.db2.gz XUWAZRMFWJGJLW-YADHBBJMSA-N 1 1 401.551 1.909 20 0 HDADMO C[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000674928125 1074625468 /nfs/dbraw/zinc/62/54/68/1074625468.db2.gz VNKAHZAYZNZCTN-KCLUMXDGSA-N 1 1 403.523 1.865 20 0 HDADMO C[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000674928125 1074625474 /nfs/dbraw/zinc/62/54/74/1074625474.db2.gz VNKAHZAYZNZCTN-KCLUMXDGSA-N 1 1 403.523 1.865 20 0 HDADMO Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000674929043 1074626045 /nfs/dbraw/zinc/62/60/45/1074626045.db2.gz LPDFTDXTZHKDGR-QGZVFWFLSA-N 1 1 412.481 1.802 20 0 HDADMO Cc1ccc(OC(F)F)c(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000674929042 1074626294 /nfs/dbraw/zinc/62/62/94/1074626294.db2.gz LPDFTDXTZHKDGR-KRWDZBQOSA-N 1 1 412.481 1.802 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2)cc(OC)c1 ZINC000674985354 1074660530 /nfs/dbraw/zinc/66/05/30/1074660530.db2.gz IIBQWFVYHHEUMK-DZFGPLHGSA-N 1 1 419.522 1.868 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2)cc(OC)c1 ZINC000674985354 1074660538 /nfs/dbraw/zinc/66/05/38/1074660538.db2.gz IIBQWFVYHHEUMK-DZFGPLHGSA-N 1 1 419.522 1.868 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2)cc(OC)c1 ZINC000674985356 1074660596 /nfs/dbraw/zinc/66/05/96/1074660596.db2.gz IIBQWFVYHHEUMK-WMQCIHAUSA-N 1 1 419.522 1.868 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2)cc(OC)c1 ZINC000674985356 1074660601 /nfs/dbraw/zinc/66/06/01/1074660601.db2.gz IIBQWFVYHHEUMK-WMQCIHAUSA-N 1 1 419.522 1.868 20 0 HDADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000429309009 1074668977 /nfs/dbraw/zinc/66/89/77/1074668977.db2.gz MHUJIQMZFXTCOS-GJZGRUSLSA-N 1 1 410.540 1.074 20 0 HDADMO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nn1C1CCCCC1 ZINC000555039513 1074679302 /nfs/dbraw/zinc/67/93/02/1074679302.db2.gz XGQSRTUCECNQTA-UHFFFAOYSA-N 1 1 418.586 2.120 20 0 HDADMO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)nn1C1CCCCC1 ZINC000555039513 1074679304 /nfs/dbraw/zinc/67/93/04/1074679304.db2.gz XGQSRTUCECNQTA-UHFFFAOYSA-N 1 1 418.586 2.120 20 0 HDADMO COc1ccccc1N1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000675003207 1074685133 /nfs/dbraw/zinc/68/51/33/1074685133.db2.gz DDIOMKFVEQEGPE-IRXDYDNUSA-N 1 1 402.495 1.307 20 0 HDADMO COC(=O)CCCc1nnc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000448374620 1074705778 /nfs/dbraw/zinc/70/57/78/1074705778.db2.gz SJMSIFNCGUEIQE-ZFWWWQNUSA-N 1 1 407.540 2.514 20 0 HDADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000675091525 1074714002 /nfs/dbraw/zinc/71/40/02/1074714002.db2.gz SDCQGXPCLGHYAL-NRFANRHFSA-N 1 1 422.529 1.260 20 0 HDADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CC[C@@H](CO)CC3)c2)C1 ZINC000675100170 1074717667 /nfs/dbraw/zinc/71/76/67/1074717667.db2.gz YQYNBNYOUTURQC-FFZOFVMBSA-N 1 1 402.539 1.734 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000804218246 1074719042 /nfs/dbraw/zinc/71/90/42/1074719042.db2.gz QTGDUHIXESWDAP-XSLAGTTESA-N 1 1 424.586 1.985 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)s1 ZINC000580134688 1074725167 /nfs/dbraw/zinc/72/51/67/1074725167.db2.gz OJVXVFXYVHLRES-UHFFFAOYSA-N 1 1 404.496 2.269 20 0 HDADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(-c2ccccc2)nn1 ZINC000467387928 1074725672 /nfs/dbraw/zinc/72/56/72/1074725672.db2.gz DZDXPZGSYLYPIX-UHFFFAOYSA-N 1 1 418.505 2.267 20 0 HDADMO O=C1c2ccc(Br)cc2C(=O)N1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000766091361 1074725773 /nfs/dbraw/zinc/72/57/73/1074725773.db2.gz IAWSXNGLKQSPLW-AWEZNQCLSA-N 1 1 408.296 1.799 20 0 HDADMO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[N@@H+](Cc3ccccc3C)CC1)CC2 ZINC000675118038 1074726718 /nfs/dbraw/zinc/72/67/18/1074726718.db2.gz CFVUOXZJLBMWLP-LJQANCHMSA-N 1 1 412.538 1.965 20 0 HDADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1COc2c1cccc2Cl ZINC000675118793 1074727024 /nfs/dbraw/zinc/72/70/24/1074727024.db2.gz WZUSTNDPXCDEFO-SJORKVTESA-N 1 1 407.898 1.603 20 0 HDADMO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nn1-c1ccccc1Cl ZINC000551693376 1074729531 /nfs/dbraw/zinc/72/95/31/1074729531.db2.gz RYTUOUHOFREAMG-FQEVSTJZSA-N 1 1 401.898 2.327 20 0 HDADMO COC(=O)CCc1nnc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000531301340 1074730671 /nfs/dbraw/zinc/73/06/71/1074730671.db2.gz YSSNCUJWKZEZPC-UHFFFAOYSA-N 1 1 403.508 1.643 20 0 HDADMO Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000675126851 1074731515 /nfs/dbraw/zinc/73/15/15/1074731515.db2.gz PJETUEDZXFILGB-KSSFIOAISA-N 1 1 406.490 1.994 20 0 HDADMO Cc1cc(NC(=O)C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nn1C ZINC000439487219 1074737627 /nfs/dbraw/zinc/73/76/27/1074737627.db2.gz PHERCQPYLKWCOQ-UHFFFAOYSA-N 1 1 422.489 2.103 20 0 HDADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnn(-c2cc[nH+]cc2)c1 ZINC001005552116 1074750437 /nfs/dbraw/zinc/75/04/37/1074750437.db2.gz QRZPMRBFQRBBHM-YRYYUTHUSA-N 1 1 407.474 1.697 20 0 HDADMO COC(=O)Cn1ccc(NC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000483164398 1074751734 /nfs/dbraw/zinc/75/17/34/1074751734.db2.gz ZQBGEGUQXUBGTL-UHFFFAOYSA-N 1 1 420.901 1.653 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@H]21 ZINC000766096151 1074751682 /nfs/dbraw/zinc/75/16/82/1074751682.db2.gz HDAJISIPRZWPBB-GDBMZVCRSA-N 1 1 422.482 1.739 20 0 HDADMO O=C(NCCCc1ccc2c(c1)OCCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675191606 1074752906 /nfs/dbraw/zinc/75/29/06/1074752906.db2.gz SVYIWSWYKARGLX-IBGZPJMESA-N 1 1 418.538 1.096 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCCc3ccc4c(c3)OCCO4)CC2)C1 ZINC000675201808 1074756324 /nfs/dbraw/zinc/75/63/24/1074756324.db2.gz NHOSXEXSTLGVEL-LJQANCHMSA-N 1 1 402.539 1.812 20 0 HDADMO CC(C)[C@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)N1CC[NH+](C)CC1 ZINC000543616636 1074758269 /nfs/dbraw/zinc/75/82/69/1074758269.db2.gz JZKJLYNCVSDIOO-IBGZPJMESA-N 1 1 402.543 1.605 20 0 HDADMO COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000429323102 1074760138 /nfs/dbraw/zinc/76/01/38/1074760138.db2.gz RWPUAGFNXWSZKR-INIZCTEOSA-N 1 1 406.527 1.841 20 0 HDADMO COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000429323102 1074760149 /nfs/dbraw/zinc/76/01/49/1074760149.db2.gz RWPUAGFNXWSZKR-INIZCTEOSA-N 1 1 406.527 1.841 20 0 HDADMO COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000429243931 1074771205 /nfs/dbraw/zinc/77/12/05/1074771205.db2.gz IJSDIORTQGPKQN-UHFFFAOYSA-N 1 1 419.494 1.155 20 0 HDADMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OCC(N)=O ZINC000030030299 1074780063 /nfs/dbraw/zinc/78/00/63/1074780063.db2.gz JGHDDVIYKGPUPN-KRWDZBQOSA-N 1 1 413.474 1.697 20 0 HDADMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OCC(N)=O ZINC000030030299 1074780071 /nfs/dbraw/zinc/78/00/71/1074780071.db2.gz JGHDDVIYKGPUPN-KRWDZBQOSA-N 1 1 413.474 1.697 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675287149 1074780350 /nfs/dbraw/zinc/78/03/50/1074780350.db2.gz WEYGUTXJQMCWIW-CALCHBBNSA-N 1 1 414.531 1.649 20 0 HDADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675287149 1074780361 /nfs/dbraw/zinc/78/03/61/1074780361.db2.gz WEYGUTXJQMCWIW-CALCHBBNSA-N 1 1 414.531 1.649 20 0 HDADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000564496722 1074783157 /nfs/dbraw/zinc/78/31/57/1074783157.db2.gz KLVXWSOKPHCTTH-IBGZPJMESA-N 1 1 409.534 2.576 20 0 HDADMO O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280010 1074784349 /nfs/dbraw/zinc/78/43/49/1074784349.db2.gz AUHOALIMOPEBFT-IBGZPJMESA-N 1 1 417.531 1.441 20 0 HDADMO CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675282077 1074786103 /nfs/dbraw/zinc/78/61/03/1074786103.db2.gz ZLRMNYQYMQEGGM-SFHVURJKSA-N 1 1 409.552 1.412 20 0 HDADMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675297690 1074791218 /nfs/dbraw/zinc/79/12/18/1074791218.db2.gz QKHMKBYRPJQVLZ-PBHICJAKSA-N 1 1 420.460 1.319 20 0 HDADMO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000477091023 1074791428 /nfs/dbraw/zinc/79/14/28/1074791428.db2.gz AXTLRMIJQNYOGW-IPMKNSEASA-N 1 1 418.582 1.759 20 0 HDADMO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675304969 1074792935 /nfs/dbraw/zinc/79/29/35/1074792935.db2.gz VVFYOUOIUOROEH-DOTOQJQBSA-N 1 1 404.898 1.162 20 0 HDADMO C[C@]1(c2ccccc2)CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310171 1074800534 /nfs/dbraw/zinc/80/05/34/1074800534.db2.gz TZELIWYAMDAKBI-IFMALSPDSA-N 1 1 402.539 1.350 20 0 HDADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498614088 1074811736 /nfs/dbraw/zinc/81/17/36/1074811736.db2.gz IFBTUVRUOANYQV-UHFFFAOYSA-N 1 1 419.485 1.959 20 0 HDADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]21 ZINC000766112367 1074819067 /nfs/dbraw/zinc/81/90/67/1074819067.db2.gz JLFGTTFIFLJTES-RTWAWAEBSA-N 1 1 414.550 1.884 20 0 HDADMO CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2S1(=O)=O ZINC000766114358 1074821065 /nfs/dbraw/zinc/82/10/65/1074821065.db2.gz SSXWCZHEJRXIRM-DOTOQJQBSA-N 1 1 405.520 1.796 20 0 HDADMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000555940641 1075095852 /nfs/dbraw/zinc/09/58/52/1075095852.db2.gz VWCWDOFCDGPBQS-UHFFFAOYSA-N 1 1 422.327 2.421 20 0 HDADMO COc1ncc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(N)=O ZINC000429334394 1075098214 /nfs/dbraw/zinc/09/82/14/1075098214.db2.gz MUKNXBOSLWUCNS-OAQYLSRUSA-N 1 1 413.478 1.290 20 0 HDADMO C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000509330864 1075111542 /nfs/dbraw/zinc/11/15/42/1075111542.db2.gz JDSDDCAVOJKXDR-GUDVDZBRSA-N 1 1 407.603 1.881 20 0 HDADMO O=C(NCCc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000670514420 1075117034 /nfs/dbraw/zinc/11/70/34/1075117034.db2.gz WJCYQJOJXFVELQ-UHFFFAOYSA-N 1 1 413.440 1.687 20 0 HDADMO CCOCCCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000041622649 1075118123 /nfs/dbraw/zinc/11/81/23/1075118123.db2.gz LRYDMBYBWKNODN-UHFFFAOYSA-N 1 1 404.511 1.838 20 0 HDADMO CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000675433595 1075144025 /nfs/dbraw/zinc/14/40/25/1075144025.db2.gz YZTSKXBQPSIWKM-MRXNPFEDSA-N 1 1 410.877 1.255 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1F ZINC000429345055 1075146191 /nfs/dbraw/zinc/14/61/91/1075146191.db2.gz BJXVYKVVFUULBB-UONOGXRCSA-N 1 1 424.473 1.037 20 0 HDADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1F ZINC000429345055 1075146195 /nfs/dbraw/zinc/14/61/95/1075146195.db2.gz BJXVYKVVFUULBB-UONOGXRCSA-N 1 1 424.473 1.037 20 0 HDADMO O=C(NCCCN1CCCCCC1=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000670525279 1075147192 /nfs/dbraw/zinc/14/71/92/1075147192.db2.gz UDQIZNDQVPOVQM-GOSISDBHSA-N 1 1 418.538 1.832 20 0 HDADMO CC(C)(CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCCO1 ZINC000670526636 1075148284 /nfs/dbraw/zinc/14/82/84/1075148284.db2.gz GDUDQTMUWJMXTJ-GOSISDBHSA-N 1 1 409.571 1.849 20 0 HDADMO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000559643240 1075150477 /nfs/dbraw/zinc/15/04/77/1075150477.db2.gz BPPHBVKGZIDMGB-ZDUSSCGKSA-N 1 1 418.295 1.926 20 0 HDADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675457951 1075156602 /nfs/dbraw/zinc/15/66/02/1075156602.db2.gz BHHBZTYWKKIOKN-SUMWQHHRSA-N 1 1 424.904 1.501 20 0 HDADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000675458581 1075157260 /nfs/dbraw/zinc/15/72/60/1075157260.db2.gz QXMYMSUAADHLET-UHFFFAOYSA-N 1 1 422.476 1.049 20 0 HDADMO COc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1-n1nnnc1C1CC1 ZINC000429349767 1075162367 /nfs/dbraw/zinc/16/23/67/1075162367.db2.gz NVJHEMFEIGJKAO-ZDUSSCGKSA-N 1 1 401.471 1.079 20 0 HDADMO COc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1-n1nnnc1C1CC1 ZINC000429349767 1075162372 /nfs/dbraw/zinc/16/23/72/1075162372.db2.gz NVJHEMFEIGJKAO-ZDUSSCGKSA-N 1 1 401.471 1.079 20 0 HDADMO CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001299295683 1075164753 /nfs/dbraw/zinc/16/47/53/1075164753.db2.gz IIHOOXJIPJVWNB-NVXWUHKLSA-N 1 1 410.588 1.404 20 0 HDADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766143507 1075169571 /nfs/dbraw/zinc/16/95/71/1075169571.db2.gz FIHNYHQQQDUBOE-MRXNPFEDSA-N 1 1 401.479 1.421 20 0 HDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766143505 1075169623 /nfs/dbraw/zinc/16/96/23/1075169623.db2.gz FIHNYHQQQDUBOE-INIZCTEOSA-N 1 1 401.479 1.421 20 0 HDADMO COC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1 ZINC000675477386 1075169937 /nfs/dbraw/zinc/16/99/37/1075169937.db2.gz RTECMZCOKURENW-RTBURBONSA-N 1 1 422.957 1.382 20 0 HDADMO COCCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000466680311 1075170432 /nfs/dbraw/zinc/17/04/32/1075170432.db2.gz RFHBAWRUKQIANT-APWZRJJASA-N 1 1 412.490 1.825 20 0 HDADMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000675485752 1075173359 /nfs/dbraw/zinc/17/33/59/1075173359.db2.gz DNFKRXWQCDEMGZ-HNNXBMFYSA-N 1 1 405.890 1.051 20 0 HDADMO COc1ccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000675485641 1075173371 /nfs/dbraw/zinc/17/33/71/1075173371.db2.gz NIELQSPYHIPQCT-KRWDZBQOSA-N 1 1 410.946 1.597 20 0 HDADMO O=C(C[N@H+](CCO)CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000675495011 1075177839 /nfs/dbraw/zinc/17/78/39/1075177839.db2.gz IGMSKSGXRNEYBZ-UHFFFAOYSA-N 1 1 400.870 1.791 20 0 HDADMO O=C(C[N@@H+](CCO)CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000675495011 1075177843 /nfs/dbraw/zinc/17/78/43/1075177843.db2.gz IGMSKSGXRNEYBZ-UHFFFAOYSA-N 1 1 400.870 1.791 20 0 HDADMO Cc1nc(CC(C)C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000675516413 1075181093 /nfs/dbraw/zinc/18/10/93/1075181093.db2.gz WUGFBIVZDSLILJ-MRXNPFEDSA-N 1 1 407.584 1.827 20 0 HDADMO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000675519319 1075184330 /nfs/dbraw/zinc/18/43/30/1075184330.db2.gz ZFFWKMDXBQASNM-KRWDZBQOSA-N 1 1 416.566 1.725 20 0 HDADMO CCN(C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446847162 1075188117 /nfs/dbraw/zinc/18/81/17/1075188117.db2.gz JGJWAHSAAGFYHU-HKUYNNGSSA-N 1 1 413.522 2.152 20 0 HDADMO C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c2ccccc2O1 ZINC000675511767 1075191189 /nfs/dbraw/zinc/19/11/89/1075191189.db2.gz VOOVVCAZRDGWBS-OAHLLOKOSA-N 1 1 420.469 1.614 20 0 HDADMO COCCOc1ncccc1C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000447704547 1075192585 /nfs/dbraw/zinc/19/25/85/1075192585.db2.gz RANCMFOATHOOEH-UHFFFAOYSA-N 1 1 412.450 2.019 20 0 HDADMO COc1ccc2[nH]cc(CCNC(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000675535142 1075193418 /nfs/dbraw/zinc/19/34/18/1075193418.db2.gz GOIZAGMBJXACBJ-UHFFFAOYSA-N 1 1 401.511 1.525 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1 ZINC000675537268 1075193757 /nfs/dbraw/zinc/19/37/57/1075193757.db2.gz OSOLOCCNPPWKLD-FUHWJXTLSA-N 1 1 414.510 1.503 20 0 HDADMO O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675542959 1075198718 /nfs/dbraw/zinc/19/87/18/1075198718.db2.gz JORCJWLQALIIND-HNNXBMFYSA-N 1 1 402.417 1.985 20 0 HDADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675558695 1075202927 /nfs/dbraw/zinc/20/29/27/1075202927.db2.gz MTVUDLNABYXPAT-LJQANCHMSA-N 1 1 421.586 1.363 20 0 HDADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675558695 1075202929 /nfs/dbraw/zinc/20/29/29/1075202929.db2.gz MTVUDLNABYXPAT-LJQANCHMSA-N 1 1 421.586 1.363 20 0 HDADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675566263 1075205397 /nfs/dbraw/zinc/20/53/97/1075205397.db2.gz HASMSSBLUHFIOK-HNNXBMFYSA-N 1 1 423.311 1.518 20 0 HDADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1 ZINC000543635453 1075205724 /nfs/dbraw/zinc/20/57/24/1075205724.db2.gz COEXGHUKGQVREU-AEFFLSMTSA-N 1 1 404.536 1.672 20 0 HDADMO CC(C)[N@@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000675570805 1075208682 /nfs/dbraw/zinc/20/86/82/1075208682.db2.gz CTZAAKVUWLXCPB-IYBDPMFKSA-N 1 1 413.540 1.126 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1=O ZINC000675572761 1075208949 /nfs/dbraw/zinc/20/89/49/1075208949.db2.gz CLAAAUDLECXIPV-CEXWTWQISA-N 1 1 404.555 1.227 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000550417889 1075213618 /nfs/dbraw/zinc/21/36/18/1075213618.db2.gz WDWZJSCVCVNYNP-UHFFFAOYSA-N 1 1 420.311 2.174 20 0 HDADMO C[C@@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)N1CC[NH+](C)CC1 ZINC000470190719 1075214716 /nfs/dbraw/zinc/21/47/16/1075214716.db2.gz PANRVLGQRPYIMI-LBPRGKRZSA-N 1 1 406.478 1.232 20 0 HDADMO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[NH+]1CCOCC1 ZINC000675585723 1075215454 /nfs/dbraw/zinc/21/54/54/1075215454.db2.gz NYKJTHVPNVAFMU-OALUTQOASA-N 1 1 421.542 1.254 20 0 HDADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675585814 1075215705 /nfs/dbraw/zinc/21/57/05/1075215705.db2.gz DLGYJNBPCPTMAS-UHFFFAOYSA-N 1 1 424.549 1.556 20 0 HDADMO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000426961373 1075219478 /nfs/dbraw/zinc/21/94/78/1075219478.db2.gz ZRBYTQVMKAZCCI-ZWKOTPCHSA-N 1 1 419.570 2.532 20 0 HDADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)no1 ZINC000461561214 1075224371 /nfs/dbraw/zinc/22/43/71/1075224371.db2.gz MMEXSARTNCPXFN-HOTGVXAUSA-N 1 1 424.567 2.193 20 0 HDADMO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000675587933 1075226735 /nfs/dbraw/zinc/22/67/35/1075226735.db2.gz SQTVEZUNEKUZCK-HXUWFJFHSA-N 1 1 411.506 1.388 20 0 HDADMO Cc1cc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000429363537 1075228289 /nfs/dbraw/zinc/22/82/89/1075228289.db2.gz PYLAIFQSOJNKMW-YJBOKZPZSA-N 1 1 423.583 1.296 20 0 HDADMO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[NH+]2CCCC2)o1 ZINC000675591980 1075229634 /nfs/dbraw/zinc/22/96/34/1075229634.db2.gz DKIYRMYROUKWIX-MSOLQXFVSA-N 1 1 415.494 1.855 20 0 HDADMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000486972748 1075233305 /nfs/dbraw/zinc/23/33/05/1075233305.db2.gz WECUYYYNFJMSFK-UHFFFAOYSA-N 1 1 403.552 1.739 20 0 HDADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000441991700 1075237679 /nfs/dbraw/zinc/23/76/79/1075237679.db2.gz ZUQCQIKSYQLLNY-MSOLQXFVSA-N 1 1 411.506 1.964 20 0 HDADMO Cc1ccc(-n2ccnc2SCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000675653908 1075248024 /nfs/dbraw/zinc/24/80/24/1075248024.db2.gz GEADSBPFZLGPNF-UHFFFAOYSA-N 1 1 415.563 1.814 20 0 HDADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000675665647 1075251897 /nfs/dbraw/zinc/25/18/97/1075251897.db2.gz MWTPVWGXLFUHFX-PXNSSMCTSA-N 1 1 406.571 1.617 20 0 HDADMO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675716876 1075259790 /nfs/dbraw/zinc/25/97/90/1075259790.db2.gz OFXYWAGSKARJAL-HSALFYBXSA-N 1 1 405.539 1.986 20 0 HDADMO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 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PFMDKXHPZYPTNA-MEDUHNTESA-N 1 1 416.316 1.985 20 0 HDADMO COc1cc(Br)c(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000676244127 1075445289 /nfs/dbraw/zinc/44/52/89/1075445289.db2.gz PFMDKXHPZYPTNA-MEDUHNTESA-N 1 1 416.316 1.985 20 0 HDADMO C[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243710 1075445883 /nfs/dbraw/zinc/44/58/83/1075445883.db2.gz UAVYFMPEWSLHJD-XLIONFOSSA-N 1 1 402.539 1.629 20 0 HDADMO C[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243710 1075445885 /nfs/dbraw/zinc/44/58/85/1075445885.db2.gz UAVYFMPEWSLHJD-XLIONFOSSA-N 1 1 402.539 1.629 20 0 HDADMO C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676248072 1075447884 /nfs/dbraw/zinc/44/78/84/1075447884.db2.gz MCNUBKFDPVEZMD-VIPLHTEESA-N 1 1 418.538 1.454 20 0 HDADMO C[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676248072 1075447889 /nfs/dbraw/zinc/44/78/89/1075447889.db2.gz MCNUBKFDPVEZMD-VIPLHTEESA-N 1 1 418.538 1.454 20 0 HDADMO C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257813 1075452639 /nfs/dbraw/zinc/45/26/39/1075452639.db2.gz KKUWHJPRICUSJA-DOMZBBRYSA-N 1 1 413.316 1.796 20 0 HDADMO C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257813 1075452641 /nfs/dbraw/zinc/45/26/41/1075452641.db2.gz KKUWHJPRICUSJA-DOMZBBRYSA-N 1 1 413.316 1.796 20 0 HDADMO C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676257871 1075452723 /nfs/dbraw/zinc/45/27/23/1075452723.db2.gz MWJVNKZHZJWBOL-MGPUTAFESA-N 1 1 407.470 1.932 20 0 HDADMO C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257871 1075452724 /nfs/dbraw/zinc/45/27/24/1075452724.db2.gz MWJVNKZHZJWBOL-MGPUTAFESA-N 1 1 407.470 1.932 20 0 HDADMO CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000676257777 1075452739 /nfs/dbraw/zinc/45/27/39/1075452739.db2.gz JTFUUOPBMQBFPA-JLZZUVOBSA-N 1 1 412.328 1.852 20 0 HDADMO CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000676257777 1075452743 /nfs/dbraw/zinc/45/27/43/1075452743.db2.gz JTFUUOPBMQBFPA-JLZZUVOBSA-N 1 1 412.328 1.852 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676259091 1075453720 /nfs/dbraw/zinc/45/37/20/1075453720.db2.gz HFURTHNOHBKNSV-ZENOOKHLSA-N 1 1 410.312 1.637 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676259091 1075453726 /nfs/dbraw/zinc/45/37/26/1075453726.db2.gz HFURTHNOHBKNSV-ZENOOKHLSA-N 1 1 410.312 1.637 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OC ZINC000676259029 1075454757 /nfs/dbraw/zinc/45/47/57/1075454757.db2.gz ZVKZZQVAYBASPR-YOEHRIQHSA-N 1 1 413.540 1.175 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OC ZINC000676259029 1075454759 /nfs/dbraw/zinc/45/47/59/1075454759.db2.gz ZVKZZQVAYBASPR-YOEHRIQHSA-N 1 1 413.540 1.175 20 0 HDADMO C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676260084 1075455828 /nfs/dbraw/zinc/45/58/28/1075455828.db2.gz DHFPMYGSQRYHGS-YOEHRIQHSA-N 1 1 416.478 1.746 20 0 HDADMO C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676260084 1075455831 /nfs/dbraw/zinc/45/58/31/1075455831.db2.gz DHFPMYGSQRYHGS-YOEHRIQHSA-N 1 1 416.478 1.746 20 0 HDADMO C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676259798 1075456501 /nfs/dbraw/zinc/45/65/01/1075456501.db2.gz BUNUAMGCWJGRJP-RHSMWYFYSA-N 1 1 412.556 1.745 20 0 HDADMO C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676259798 1075456502 /nfs/dbraw/zinc/45/65/02/1075456502.db2.gz BUNUAMGCWJGRJP-RHSMWYFYSA-N 1 1 412.556 1.745 20 0 HDADMO C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676261107 1075457805 /nfs/dbraw/zinc/45/78/05/1075457805.db2.gz KFOLMMPHKUPOAK-JLJPHGGASA-N 1 1 413.440 1.889 20 0 HDADMO 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20 0 HDADMO CC(C)NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000731842971 1075548467 /nfs/dbraw/zinc/54/84/67/1075548467.db2.gz SRMGWAFBOUKVAB-IBGZPJMESA-N 1 1 416.522 1.477 20 0 HDADMO Cc1c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676454450 1075559460 /nfs/dbraw/zinc/55/94/60/1075559460.db2.gz LAQBZNROTKGRMS-UHFFFAOYSA-N 1 1 417.477 1.940 20 0 HDADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000731900273 1075562570 /nfs/dbraw/zinc/56/25/70/1075562570.db2.gz MQOMBSHZXFZQGW-HNNXBMFYSA-N 1 1 409.918 1.509 20 0 HDADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000731899990 1075562858 /nfs/dbraw/zinc/56/28/58/1075562858.db2.gz ZXSZRQWPOGYNDG-OAHLLOKOSA-N 1 1 400.501 1.101 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(OCc4ccccc4)CCOCC3)CC2)C1 ZINC000676473898 1075564228 /nfs/dbraw/zinc/56/42/28/1075564228.db2.gz UBPUDGFYROVCQA-OAQYLSRUSA-N 1 1 401.551 1.991 20 0 HDADMO 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COCc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000509423522 1075595213 /nfs/dbraw/zinc/59/52/13/1075595213.db2.gz YNCLRIHRAGNRMO-LJQANCHMSA-N 1 1 420.531 1.539 20 0 HDADMO COCc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000509423522 1075595218 /nfs/dbraw/zinc/59/52/18/1075595218.db2.gz YNCLRIHRAGNRMO-LJQANCHMSA-N 1 1 420.531 1.539 20 0 HDADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@@H+](C)Cc1ccccc1 ZINC000676549632 1075597598 /nfs/dbraw/zinc/59/75/98/1075597598.db2.gz FMBWMEQSXADWFH-KRWDZBQOSA-N 1 1 406.490 1.902 20 0 HDADMO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000732060873 1075597991 /nfs/dbraw/zinc/59/79/91/1075597991.db2.gz VQLVIAZTXZUGAV-RNVJXAMWSA-N 1 1 411.593 1.766 20 0 HDADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)CC1 ZINC000509423325 1075598776 /nfs/dbraw/zinc/59/87/76/1075598776.db2.gz NGFUOIARMWLGGC-UHFFFAOYSA-N 1 1 400.523 1.149 20 0 HDADMO COC1(CNC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCOCC1 ZINC000676573567 1075599967 /nfs/dbraw/zinc/59/99/67/1075599967.db2.gz MEHXOCSKYMPSCF-IBGZPJMESA-N 1 1 418.538 1.379 20 0 HDADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000446788241 1075602492 /nfs/dbraw/zinc/60/24/92/1075602492.db2.gz VYRNHIJZBPJOJN-HUUCEWRRSA-N 1 1 415.460 2.497 20 0 HDADMO CC[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000732095895 1075610103 /nfs/dbraw/zinc/61/01/03/1075610103.db2.gz ODLYQZDHFXXVBL-UHFFFAOYSA-N 1 1 415.943 1.529 20 0 HDADMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000429722128 1075614548 /nfs/dbraw/zinc/61/45/48/1075614548.db2.gz KQMHPUBGPCHMFN-OAHLLOKOSA-N 1 1 405.524 1.568 20 0 HDADMO C[NH+](C)[C@@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)c1ccccc1Cl ZINC000426236419 1075615367 /nfs/dbraw/zinc/61/53/67/1075615367.db2.gz HIPCETHSKYOHTF-AWEZNQCLSA-N 1 1 409.947 1.908 20 0 HDADMO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CC3(CS(C)(=O)=O)CC3)CC2)cc1 ZINC001273248051 1075633368 /nfs/dbraw/zinc/63/33/68/1075633368.db2.gz YAAQCKXCFJPDFV-UHFFFAOYSA-N 1 1 421.563 1.941 20 0 HDADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732139952 1075647198 /nfs/dbraw/zinc/64/71/98/1075647198.db2.gz VTSPWHUIDPNTEP-HNNXBMFYSA-N 1 1 413.515 1.451 20 0 HDADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000732139318 1075647289 /nfs/dbraw/zinc/64/72/89/1075647289.db2.gz NGLQTUSQNLIFJU-JHRJRCTKSA-N 1 1 412.534 1.780 20 0 HDADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000732147752 1075649081 /nfs/dbraw/zinc/64/90/81/1075649081.db2.gz SYPMLCUBBKZKCF-QGZVFWFLSA-N 1 1 422.529 1.887 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1Cl ZINC000732150136 1075650683 /nfs/dbraw/zinc/65/06/83/1075650683.db2.gz XSSNEADDSDBODC-HNNXBMFYSA-N 1 1 416.975 1.346 20 0 HDADMO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027345334 1075652553 /nfs/dbraw/zinc/65/25/53/1075652553.db2.gz QZPHVGXGHUTNPG-KRWDZBQOSA-N 1 1 410.927 1.893 20 0 HDADMO CN(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732188033 1075653681 /nfs/dbraw/zinc/65/36/81/1075653681.db2.gz DMBNPLAASIURDM-XCLLZBPDSA-N 1 1 400.523 1.872 20 0 HDADMO CN(Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732190050 1075655036 /nfs/dbraw/zinc/65/50/36/1075655036.db2.gz WHPURZRAPHEQIA-MSOLQXFVSA-N 1 1 422.599 1.556 20 0 HDADMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000732195038 1075656645 /nfs/dbraw/zinc/65/66/45/1075656645.db2.gz GBALAQFNVFCAED-QGZVFWFLSA-N 1 1 415.538 1.912 20 0 HDADMO CC(C)CN(C(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000732195154 1075657109 /nfs/dbraw/zinc/65/71/09/1075657109.db2.gz JJMDVAZSNSTBHA-JKSUJKDBSA-N 1 1 402.561 1.031 20 0 HDADMO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)C1 ZINC000732206768 1075664054 /nfs/dbraw/zinc/66/40/54/1075664054.db2.gz BEARTJRZOJAMCQ-MRXNPFEDSA-N 1 1 412.490 1.630 20 0 HDADMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)C1 ZINC000732206768 1075664057 /nfs/dbraw/zinc/66/40/57/1075664057.db2.gz BEARTJRZOJAMCQ-MRXNPFEDSA-N 1 1 412.490 1.630 20 0 HDADMO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000732210449 1075667162 /nfs/dbraw/zinc/66/71/62/1075667162.db2.gz IEAQQXCATYOORK-LJQANCHMSA-N 1 1 400.523 1.869 20 0 HDADMO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000732210449 1075667167 /nfs/dbraw/zinc/66/71/67/1075667167.db2.gz IEAQQXCATYOORK-LJQANCHMSA-N 1 1 400.523 1.869 20 0 HDADMO COc1cc(OC)c(CNC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1 ZINC000732210135 1075667603 /nfs/dbraw/zinc/66/76/03/1075667603.db2.gz GHXFZVGOKVOAJW-INIZCTEOSA-N 1 1 419.522 1.806 20 0 HDADMO COc1cc(OC)c(CNC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1 ZINC000732210135 1075667609 /nfs/dbraw/zinc/66/76/09/1075667609.db2.gz GHXFZVGOKVOAJW-INIZCTEOSA-N 1 1 419.522 1.806 20 0 HDADMO 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JEKYCKNHVLLMHV-HXUWFJFHSA-N 1 1 400.504 1.495 20 0 HDADMO CNS(=O)(=O)c1ccc(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000674282778 1074255271 /nfs/dbraw/zinc/25/52/71/1074255271.db2.gz MSGUUECISFMVSC-UHFFFAOYSA-N 1 1 418.523 1.792 20 0 HDADMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000674292895 1074257440 /nfs/dbraw/zinc/25/74/40/1074257440.db2.gz VWUVEPNDPXIBDL-FQEVSTJZSA-N 1 1 415.582 1.545 20 0 HDADMO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674299051 1074262796 /nfs/dbraw/zinc/26/27/96/1074262796.db2.gz FZNWVNNBFKHVQC-ZWKOTPCHSA-N 1 1 406.914 1.952 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000674300622 1074264161 /nfs/dbraw/zinc/26/41/61/1074264161.db2.gz LYSIQQBDQDPFRQ-QFBILLFUSA-N 1 1 415.534 1.740 20 0 HDADMO CCN(C(=O)C[N@@H+](C)C(C)(C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000429226384 1074269558 /nfs/dbraw/zinc/26/95/58/1074269558.db2.gz KOZCONUCJHZBEM-UHFFFAOYSA-N 1 1 417.510 1.289 20 0 HDADMO COc1nc(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)ncc1Br ZINC000674329095 1074277904 /nfs/dbraw/zinc/27/79/04/1074277904.db2.gz WVMXERQUSATNFB-LBPRGKRZSA-N 1 1 413.320 1.174 20 0 HDADMO CCN1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1 ZINC000674318910 1074279941 /nfs/dbraw/zinc/27/99/41/1074279941.db2.gz KVWOJEFYFPWVFH-NRFANRHFSA-N 1 1 413.566 1.999 20 0 HDADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCOC[C@H]3CCOC3)cc2)CC1 ZINC000674319694 1074281436 /nfs/dbraw/zinc/28/14/36/1074281436.db2.gz OKTDQOXDDSGUDG-IBGZPJMESA-N 1 1 418.538 1.568 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000674333563 1074287618 /nfs/dbraw/zinc/28/76/18/1074287618.db2.gz XWBFDJFMQZIRKK-NZSAHSFTSA-N 1 1 408.568 1.763 20 0 HDADMO COc1ccc(C(=O)CCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000674358770 1074291248 /nfs/dbraw/zinc/29/12/48/1074291248.db2.gz RLOWRZYAQRBZRG-KRWDZBQOSA-N 1 1 405.470 1.738 20 0 HDADMO Cc1c(C(=O)N2CCC(c3nnc[nH]3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000674364790 1074294672 /nfs/dbraw/zinc/29/46/72/1074294672.db2.gz UANPONJNBFQXCC-UHFFFAOYSA-N 1 1 406.494 1.702 20 0 HDADMO Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674364790 1074294675 /nfs/dbraw/zinc/29/46/75/1074294675.db2.gz UANPONJNBFQXCC-UHFFFAOYSA-N 1 1 406.494 1.702 20 0 HDADMO Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000674364790 1074294681 /nfs/dbraw/zinc/29/46/81/1074294681.db2.gz UANPONJNBFQXCC-UHFFFAOYSA-N 1 1 406.494 1.702 20 0 HDADMO CC(C)CN(C(=O)C[NH2+][C@@H](Cn1cccn1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000674372342 1074299958 /nfs/dbraw/zinc/29/99/58/1074299958.db2.gz ZQCCSKVTGSMYSK-PMACEKPBSA-N 1 1 418.563 1.886 20 0 HDADMO C[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000674423680 1074327250 /nfs/dbraw/zinc/32/72/50/1074327250.db2.gz AJAHGAOEANUNTC-CQSZACIVSA-N 1 1 400.570 1.172 20 0 HDADMO C[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000674423680 1074327255 /nfs/dbraw/zinc/32/72/55/1074327255.db2.gz AJAHGAOEANUNTC-CQSZACIVSA-N 1 1 400.570 1.172 20 0 HDADMO Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674438403 1074337135 /nfs/dbraw/zinc/33/71/35/1074337135.db2.gz IEWGOMBNQLTRKT-AVRDEDQJSA-N 1 1 413.522 1.543 20 0 HDADMO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCN1CCCS1(=O)=O ZINC000674463767 1074355600 /nfs/dbraw/zinc/35/56/00/1074355600.db2.gz RTGLINXSOCHGNX-UHFFFAOYSA-N 1 1 408.524 1.109 20 0 HDADMO COc1cc(CNC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCc1ccccc1 ZINC000674466302 1074356191 /nfs/dbraw/zinc/35/61/91/1074356191.db2.gz ZSRKUVZYWQNMPU-KDURUIRLSA-N 1 1 400.475 1.318 20 0 HDADMO COc1cc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCc1ccccc1 ZINC000674466302 1074356198 /nfs/dbraw/zinc/35/61/98/1074356198.db2.gz ZSRKUVZYWQNMPU-KDURUIRLSA-N 1 1 400.475 1.318 20 0 HDADMO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000674466670 1074365179 /nfs/dbraw/zinc/36/51/79/1074365179.db2.gz MPWYPVANCNSKOD-KRWDZBQOSA-N 1 1 411.524 1.065 20 0 HDADMO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000674466670 1074365190 /nfs/dbraw/zinc/36/51/90/1074365190.db2.gz MPWYPVANCNSKOD-KRWDZBQOSA-N 1 1 411.524 1.065 20 0 HDADMO COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000674468177 1074365756 /nfs/dbraw/zinc/36/57/56/1074365756.db2.gz ATUQHZYPRMDVRO-LJQANCHMSA-N 1 1 405.539 1.767 20 0 HDADMO COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000674468175 1074365941 /nfs/dbraw/zinc/36/59/41/1074365941.db2.gz ATUQHZYPRMDVRO-IBGZPJMESA-N 1 1 405.539 1.767 20 0 HDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@@H]3COC)cc2)CC1 ZINC000674477753 1074375294 /nfs/dbraw/zinc/37/52/94/1074375294.db2.gz IWRZFFXQLFJLFP-GOSISDBHSA-N 1 1 402.495 1.040 20 0 HDADMO COC[C@@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000674499715 1074393270 /nfs/dbraw/zinc/39/32/70/1074393270.db2.gz FHAKYGVYENNCLN-HNNXBMFYSA-N 1 1 409.531 1.287 20 0 HDADMO COC[C@@H]1CCC[N@H+]1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000674499715 1074393280 /nfs/dbraw/zinc/39/32/80/1074393280.db2.gz FHAKYGVYENNCLN-HNNXBMFYSA-N 1 1 409.531 1.287 20 0 HDADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H](O)c1cccc(Br)c1 ZINC001626099909 1074408710 /nfs/dbraw/zinc/40/87/10/1074408710.db2.gz CJOANOKODBYCDT-MRXNPFEDSA-N 1 1 413.312 1.480 20 0 HDADMO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001128735689 1074410605 /nfs/dbraw/zinc/41/06/05/1074410605.db2.gz HJFOSUYDSHZOCR-FBVQUNGASA-N 1 1 408.587 1.763 20 0 HDADMO C[C@@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674514709 1074411808 /nfs/dbraw/zinc/41/18/08/1074411808.db2.gz WAFCSOGVHAKDFT-IEBWSBKVSA-N 1 1 423.579 1.754 20 0 HDADMO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C[C@H]2C)CC1 ZINC000674539564 1074429136 /nfs/dbraw/zinc/42/91/36/1074429136.db2.gz RLTYBBZBPWDIRD-BPQIPLTHSA-N 1 1 418.563 1.364 20 0 HDADMO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O ZINC000674583198 1074448566 /nfs/dbraw/zinc/44/85/66/1074448566.db2.gz JPLKPXQSAWFEET-YVHKJVDXSA-N 1 1 416.497 1.874 20 0 HDADMO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000674584609 1074466318 /nfs/dbraw/zinc/46/63/18/1074466318.db2.gz SMHUWMQYNSDCMH-HMFYCAOWSA-N 1 1 414.506 1.114 20 0 HDADMO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000674584609 1074466323 /nfs/dbraw/zinc/46/63/23/1074466323.db2.gz SMHUWMQYNSDCMH-HMFYCAOWSA-N 1 1 414.506 1.114 20 0 HDADMO CC(C)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000429233842 1074477455 /nfs/dbraw/zinc/47/74/55/1074477455.db2.gz APISTCHRXNQSSV-CVEARBPZSA-N 1 1 412.527 1.845 20 0 HDADMO CCn1nc2c(cc1=O)CN(C(=O)NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000674624715 1074491903 /nfs/dbraw/zinc/49/19/03/1074491903.db2.gz ARHILKYNHDXSGV-LJQANCHMSA-N 1 1 409.534 1.896 20 0 HDADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000674631749 1074496002 /nfs/dbraw/zinc/49/60/02/1074496002.db2.gz URBSRGNNBHQRLI-LXGFNABISA-N 1 1 402.539 1.645 20 0 HDADMO CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(=O)N1CCOCC1 ZINC000674647829 1074496608 /nfs/dbraw/zinc/49/66/08/1074496608.db2.gz YHUCSBAJAHKNAC-FQEVSTJZSA-N 1 1 402.539 1.850 20 0 HDADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674672475 1074516590 /nfs/dbraw/zinc/51/65/90/1074516590.db2.gz QMFVUVPVVAPNGJ-VGSWGCGISA-N 1 1 416.543 1.947 20 0 HDADMO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668307 1074518588 /nfs/dbraw/zinc/51/85/88/1074518588.db2.gz XPPNICPOZVMTCB-LPHOPBHVSA-N 1 1 407.580 1.821 20 0 HDADMO C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668307 1074518594 /nfs/dbraw/zinc/51/85/94/1074518594.db2.gz XPPNICPOZVMTCB-LPHOPBHVSA-N 1 1 407.580 1.821 20 0 HDADMO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667914 1074519359 /nfs/dbraw/zinc/51/93/59/1074519359.db2.gz PPIHCTFWBCWTOL-MJGOQNOKSA-N 1 1 407.580 1.822 20 0 HDADMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700021 1074528806 /nfs/dbraw/zinc/52/88/06/1074528806.db2.gz ZYOCECSBTBBQQC-HXUWFJFHSA-N 1 1 415.582 1.799 20 0 HDADMO Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700021 1074528811 /nfs/dbraw/zinc/52/88/11/1074528811.db2.gz ZYOCECSBTBBQQC-HXUWFJFHSA-N 1 1 415.582 1.799 20 0 HDADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+](CC)C(C)C)c1 ZINC000509235552 1074543241 /nfs/dbraw/zinc/54/32/41/1074543241.db2.gz BVNDDNGDGDNPOS-UHFFFAOYSA-N 1 1 405.586 1.726 20 0 HDADMO C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670482920 1074550486 /nfs/dbraw/zinc/55/04/86/1074550486.db2.gz RQTZIPNCMYGVEL-GHTZIAJQSA-N 1 1 400.567 1.751 20 0 HDADMO C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670482920 1074550493 /nfs/dbraw/zinc/55/04/93/1074550493.db2.gz RQTZIPNCMYGVEL-GHTZIAJQSA-N 1 1 400.567 1.751 20 0 HDADMO COc1ccc(-n2cc(CNC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)nn2)cc1 ZINC000674777599 1074552736 /nfs/dbraw/zinc/55/27/36/1074552736.db2.gz BJRGEPGZVKIACY-INIZCTEOSA-N 1 1 413.526 1.244 20 0 HDADMO COc1ccc(-n2cc(CNC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)nn2)cc1 ZINC000674777599 1074552744 /nfs/dbraw/zinc/55/27/44/1074552744.db2.gz BJRGEPGZVKIACY-INIZCTEOSA-N 1 1 413.526 1.244 20 0 HDADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000674808872 1074575385 /nfs/dbraw/zinc/57/53/85/1074575385.db2.gz KYIYUBAQZQOOBX-SJORKVTESA-N 1 1 419.551 1.210 20 0 HDADMO CN(CCOCC1CC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000674851217 1074592061 /nfs/dbraw/zinc/59/20/61/1074592061.db2.gz UVNVQHVFDRNHBD-UHFFFAOYSA-N 1 1 417.554 1.787 20 0 HDADMO 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COc1cc(NC(=O)CC[NH+]2CCC(CS(C)(=O)=O)CC2)cc(OC)c1OC ZINC000429247197 1075092497 /nfs/dbraw/zinc/09/24/97/1075092497.db2.gz VJIKMLIHNFFWCA-UHFFFAOYSA-N 1 1 414.524 1.798 20 0 HDADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000670506232 1075093720 /nfs/dbraw/zinc/09/37/20/1075093720.db2.gz MCOKGFIHLABALX-KRWDZBQOSA-N 1 1 412.456 1.560 20 0 HDADMO CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1 ZINC000429334681 1075100181 /nfs/dbraw/zinc/10/01/81/1075100181.db2.gz UPKBAKJDMHADPG-GOSISDBHSA-N 1 1 413.522 1.914 20 0 HDADMO CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1 ZINC000429334685 1075100195 /nfs/dbraw/zinc/10/01/95/1075100195.db2.gz UPKBAKJDMHADPG-SFHVURJKSA-N 1 1 413.522 1.914 20 0 HDADMO CN(C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000675379830 1075119223 /nfs/dbraw/zinc/11/92/23/1075119223.db2.gz QRNSAMFAKXGBSJ-WMLDXEAASA-N 1 1 422.888 1.396 20 0 HDADMO 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/nfs/dbraw/zinc/25/19/43/1075251943.db2.gz WESFSUBKQCAGLM-ZRSRNVLSSA-N 1 1 401.555 1.676 20 0 HDADMO COCc1nnc(NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)s1 ZINC000477193151 1075259646 /nfs/dbraw/zinc/25/96/46/1075259646.db2.gz LBPAUDJSYVVOKX-UHFFFAOYSA-N 1 1 419.551 1.882 20 0 HDADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675699208 1075260198 /nfs/dbraw/zinc/26/01/98/1075260198.db2.gz RKUPZHHAQRBPAZ-YOEHRIQHSA-N 1 1 422.551 1.302 20 0 HDADMO Cc1ccc(NC(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000429377724 1075267020 /nfs/dbraw/zinc/26/70/20/1075267020.db2.gz NLGQAAXIEADJLH-MRXNPFEDSA-N 1 1 422.595 1.990 20 0 HDADMO NC(=O)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000544456186 1075268746 /nfs/dbraw/zinc/26/87/46/1075268746.db2.gz FUNMIQKOGNHHHS-UKRRQHHQSA-N 1 1 402.264 1.375 20 0 HDADMO COCC[N@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000675786721 1075271568 /nfs/dbraw/zinc/27/15/68/1075271568.db2.gz 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HDADMO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164891582 721425621 /nfs/dbraw/zinc/42/56/21/721425621.db2.gz HBNNZJXESRPJEF-UGKGYDQZSA-N 1 1 417.554 1.348 20 0 HDADMO O=S(=O)(NC1CC1)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164786358 721428243 /nfs/dbraw/zinc/42/82/43/721428243.db2.gz OMRIVXGHEBKZAW-OKILXGFUSA-N 1 1 405.549 1.547 20 0 HDADMO O=S(=O)(NC1CC1)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164786358 721428245 /nfs/dbraw/zinc/42/82/45/721428245.db2.gz OMRIVXGHEBKZAW-OKILXGFUSA-N 1 1 405.549 1.547 20 0 HDADMO CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893170 721432822 /nfs/dbraw/zinc/43/28/22/721432822.db2.gz JQFHKYJCHIAOBR-DENIHFKCSA-N 1 1 401.555 1.597 20 0 HDADMO CCCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164888770 721436446 /nfs/dbraw/zinc/43/64/46/721436446.db2.gz AVQZUMVQFFXINO-NZQKXSOJSA-N 1 1 415.582 1.987 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(-n5ccccc5=O)n4)C3)O2)CC1 ZINC001164896877 721438618 /nfs/dbraw/zinc/43/86/18/721438618.db2.gz SHYNGFKZIZKRQY-XXBNENTESA-N 1 1 424.549 1.393 20 0 HDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(N)=O)CC2 ZINC001164790275 721450766 /nfs/dbraw/zinc/45/07/66/721450766.db2.gz XUMRFZMIMDVLQU-SFHVURJKSA-N 1 1 402.539 1.914 20 0 HDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4NC(=O)CS5)C3)O2)CC1 ZINC001164892028 721451255 /nfs/dbraw/zinc/45/12/55/721451255.db2.gz VUFWCIVKGIWBSQ-QRWLVFNGSA-N 1 1 418.567 1.286 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCOCC3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164809000 721531912 /nfs/dbraw/zinc/53/19/12/721531912.db2.gz SZRDFCZGHSQPMO-WOIUINJBSA-N 1 1 410.522 1.576 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164804504 721545944 /nfs/dbraw/zinc/54/59/44/721545944.db2.gz KBHIKVQXCJVQQK-CKEIUWERSA-N 1 1 402.886 1.492 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cnc2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164804504 721545951 /nfs/dbraw/zinc/54/59/51/721545951.db2.gz KBHIKVQXCJVQQK-CKEIUWERSA-N 1 1 402.886 1.492 20 0 HDADMO CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908688 721553395 /nfs/dbraw/zinc/55/33/95/721553395.db2.gz RQZZAQQPWVQXCC-WMZOPIPTSA-N 1 1 420.510 1.861 20 0 HDADMO CN1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905409 721561393 /nfs/dbraw/zinc/56/13/93/721561393.db2.gz HGBFHVQMZIEMAK-UYAOXDASSA-N 1 1 412.513 1.709 20 0 HDADMO COCCN1C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1=O ZINC001164902874 721573869 /nfs/dbraw/zinc/57/38/69/721573869.db2.gz MYOLAKWLYAIINE-QUCCMNQESA-N 1 1 407.518 1.576 20 0 HDADMO COCCN1C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1=O ZINC001164902874 721573872 /nfs/dbraw/zinc/57/38/72/721573872.db2.gz MYOLAKWLYAIINE-QUCCMNQESA-N 1 1 407.518 1.576 20 0 HDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2CCCO[C@H]21 ZINC001164809561 721581855 /nfs/dbraw/zinc/58/18/55/721581855.db2.gz TWLZNDCYRCKOJM-WOIUINJBSA-N 1 1 418.501 1.891 20 0 HDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2CCCO[C@H]21 ZINC001164809561 721581859 /nfs/dbraw/zinc/58/18/59/721581859.db2.gz TWLZNDCYRCKOJM-WOIUINJBSA-N 1 1 418.501 1.891 20 0 HDADMO O=C([C@@H]1C[C@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCOCC1 ZINC001164802743 721595746 /nfs/dbraw/zinc/59/57/46/721595746.db2.gz UUAYTGPSVMHUOM-KSZLIROESA-N 1 1 420.941 1.926 20 0 HDADMO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCOCC1 ZINC001164802744 721595769 /nfs/dbraw/zinc/59/57/69/721595769.db2.gz UUAYTGPSVMHUOM-KURKYZTESA-N 1 1 420.941 1.926 20 0 HDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)c2)CC1 ZINC001164802861 721596741 /nfs/dbraw/zinc/59/67/41/721596741.db2.gz VZZFHYNKOVBTGL-AABGKKOBSA-N 1 1 416.522 1.150 20 0 HDADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(N)(=O)=O)C2 ZINC001164907846 721747676 /nfs/dbraw/zinc/74/76/76/721747676.db2.gz BSFMXDDCPFCFIB-UHFFFAOYSA-N 1 1 413.503 1.912 20 0 HDADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(N)(=O)=O)C2 ZINC001164907846 721747686 /nfs/dbraw/zinc/74/76/86/721747686.db2.gz BSFMXDDCPFCFIB-UHFFFAOYSA-N 1 1 413.503 1.912 20 0 HDADMO CN1CCN(c2cccc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)n2)CC1 ZINC001165014616 721766712 /nfs/dbraw/zinc/76/67/12/721766712.db2.gz HMUUUCAXZCLMIO-UHFFFAOYSA-N 1 1 419.537 1.652 20 0 HDADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@@H]21 ZINC001165028886 721809169 /nfs/dbraw/zinc/80/91/69/721809169.db2.gz XXFFKNIRRKXXJQ-ZYSHUDEJSA-N 1 1 401.536 1.861 20 0 HDADMO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]cnc5c4ccn5C)CCO3)C2)cs1 ZINC001164922062 721824421 /nfs/dbraw/zinc/82/44/21/721824421.db2.gz CCUHFVLIMGIUSG-FQEVSTJZSA-N 1 1 414.535 1.841 20 0 HDADMO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164927327 721836854 /nfs/dbraw/zinc/83/68/54/721836854.db2.gz UAALPETVGSPKIF-AVRDEDQJSA-N 1 1 424.553 1.283 20 0 HDADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1C(=O)OCC ZINC001164933635 721889924 /nfs/dbraw/zinc/88/99/24/721889924.db2.gz NNDQOACYKWNSLN-QZTJIDSGSA-N 1 1 404.511 1.650 20 0 HDADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1C(=O)OCC ZINC001164933635 721889926 /nfs/dbraw/zinc/88/99/26/721889926.db2.gz NNDQOACYKWNSLN-QZTJIDSGSA-N 1 1 404.511 1.650 20 0 HDADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2OCC[N@@H+](Cc3c(C)noc3C)[C@H]2C1 ZINC001164944003 721938223 /nfs/dbraw/zinc/93/82/23/721938223.db2.gz QSHLKWBSUNLMLB-IRXDYDNUSA-N 1 1 412.450 1.391 20 0 HDADMO O=S(=O)(NC1CC1)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165044021 721960310 /nfs/dbraw/zinc/96/03/10/721960310.db2.gz CMAGSODRIXJODO-UHFFFAOYSA-N 1 1 402.520 1.723 20 0 HDADMO CN(C)Cc1ccnc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1 ZINC001164952400 721991279 /nfs/dbraw/zinc/99/12/79/721991279.db2.gz PIUYLWQPYFFZKI-YLJYHZDGSA-N 1 1 408.568 1.743 20 0 HDADMO CN1CC(=O)Nc2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21 ZINC001164962278 722057449 /nfs/dbraw/zinc/05/74/49/722057449.db2.gz CMAOBTYUPNOQFV-UHFFFAOYSA-N 1 1 423.521 1.379 20 0 HDADMO CS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164961474 722058632 /nfs/dbraw/zinc/05/86/32/722058632.db2.gz KNWJFPCKJGCWDH-UHFFFAOYSA-N 1 1 416.547 1.999 20 0 HDADMO CCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164963287 722060863 /nfs/dbraw/zinc/06/08/63/722060863.db2.gz VOFXBERRWMROQT-UHFFFAOYSA-N 1 1 410.522 1.740 20 0 HDADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164967226 722073609 /nfs/dbraw/zinc/07/36/09/722073609.db2.gz OTGKWORKDYAQPL-HDICACEKSA-N 1 1 401.511 1.165 20 0 HDADMO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CC1 ZINC001164967823 722073683 /nfs/dbraw/zinc/07/36/83/722073683.db2.gz YFCOZXWGRVQXPD-HDICACEKSA-N 1 1 401.511 1.165 20 0 HDADMO C[NH+]1CCC(Oc2ccnc(N3CCCn4c(Cn5cccn5)nnc4C3)c2)CC1 ZINC001164974135 722089120 /nfs/dbraw/zinc/08/91/20/722089120.db2.gz MNQADYABKNRDDU-UHFFFAOYSA-N 1 1 408.510 1.801 20 0 HDADMO NC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981789 722103057 /nfs/dbraw/zinc/10/30/57/722103057.db2.gz MKSKVSYODNMXRR-MAUKXSAKSA-N 1 1 401.898 1.956 20 0 HDADMO NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974937 722119822 /nfs/dbraw/zinc/11/98/22/722119822.db2.gz JCFZAYKNQDANOM-WBVHZDCISA-N 1 1 401.898 1.956 20 0 HDADMO CON(C)C(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982035 722133399 /nfs/dbraw/zinc/13/33/99/722133399.db2.gz QUQLBFWLPGSIGC-AZUAARDMSA-N 1 1 411.506 1.837 20 0 HDADMO CNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164973306 722139852 /nfs/dbraw/zinc/13/98/52/722139852.db2.gz BRQSZPVQUBXYGW-PKOBYXMFSA-N 1 1 417.535 1.112 20 0 HDADMO c1ncn(Cc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164977030 722141413 /nfs/dbraw/zinc/14/14/13/722141413.db2.gz HUCUWBQSJIDWBK-SFTDATJTSA-N 1 1 405.506 1.844 20 0 HDADMO O=C(NC1CC1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164984909 722147764 /nfs/dbraw/zinc/14/77/64/722147764.db2.gz YJAKTWMCEGGFFL-XLIONFOSSA-N 1 1 408.506 1.491 20 0 HDADMO CN(C)c1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164996080 722229133 /nfs/dbraw/zinc/22/91/33/722229133.db2.gz DDEODEUXXXQHSR-UHFFFAOYSA-N 1 1 402.934 1.343 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4cccnc42)CC3)CC1 ZINC001164997710 722231030 /nfs/dbraw/zinc/23/10/30/722231030.db2.gz UBNDMCGBYIKFIE-UHFFFAOYSA-N 1 1 410.913 1.825 20 0 HDADMO COC(=O)c1c[nH]c2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ccc12 ZINC001164997719 722231872 /nfs/dbraw/zinc/23/18/72/722231872.db2.gz UFITUAJAONGOBI-UHFFFAOYSA-N 1 1 421.505 1.497 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)NC(C)(C)C)cn2)CC3)CC1 ZINC001164996397 722233838 /nfs/dbraw/zinc/23/38/38/722233838.db2.gz GAGOFEBKAMAOJG-UHFFFAOYSA-N 1 1 423.565 1.757 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(=O)N4CCCC4)ccn2)CC3)CC1 ZINC001164997857 722235491 /nfs/dbraw/zinc/23/54/91/722235491.db2.gz XUJPMBIOHNATBJ-UHFFFAOYSA-N 1 1 421.549 1.465 20 0 HDADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cncc(Cl)n2)CC3)CC1 ZINC001164996388 722236120 /nfs/dbraw/zinc/23/61/20/722236120.db2.gz FMFJTSTZNBULAZ-UHFFFAOYSA-N 1 1 409.872 1.822 20 0 HDADMO Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2ccccn2)n1 ZINC001165002837 722236876 /nfs/dbraw/zinc/23/68/76/722236876.db2.gz ZRGKTMFMMMPRJJ-UHFFFAOYSA-N 1 1 416.533 1.994 20 0 HDADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C ZINC000429046024 1073463709 /nfs/dbraw/zinc/46/37/09/1073463709.db2.gz WXSVSERLZMHHOJ-NRFANRHFSA-N 1 1 422.595 1.992 20 0 HDADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000429047561 1073467701 /nfs/dbraw/zinc/46/77/01/1073467701.db2.gz XKEQEDLZMNUOMD-SFTDATJTSA-N 1 1 412.538 1.991 20 0 HDADMO 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REXWDRWPEQLIQQ-FCEUIQTBSA-N 1 1 401.551 1.847 20 0 HDADMO Cc1cc(NC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)nn1C ZINC000555281546 1074789077 /nfs/dbraw/zinc/78/90/77/1074789077.db2.gz YALCXYBJNISEAU-UHFFFAOYSA-N 1 1 410.478 1.593 20 0 HDADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304970 1074792905 /nfs/dbraw/zinc/79/29/05/1074792905.db2.gz VVFYOUOIUOROEH-NVXWUHKLSA-N 1 1 404.898 1.162 20 0 HDADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000675306989 1074795364 /nfs/dbraw/zinc/79/53/64/1074795364.db2.gz DENOHTBDUUCUAJ-CRAIPNDOSA-N 1 1 420.941 1.798 20 0 HDADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000675306991 1074795467 /nfs/dbraw/zinc/79/54/67/1074795467.db2.gz DENOHTBDUUCUAJ-QAPCUYQASA-N 1 1 420.941 1.798 20 0 HDADMO C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675317516 1074797673 /nfs/dbraw/zinc/79/76/73/1074797673.db2.gz LWHRJBFJZFFQPX-LSTHTHJFSA-N 1 1 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20 0 HDADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429247854 1075116379 /nfs/dbraw/zinc/11/63/79/1075116379.db2.gz XPVZSWACZIDWPI-GOSISDBHSA-N 1 1 407.580 1.648 20 0 HDADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000670514050 1075119923 /nfs/dbraw/zinc/11/99/23/1075119923.db2.gz LEZWPFAKIKKZRS-UHFFFAOYSA-N 1 1 401.429 1.279 20 0 HDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)C1 ZINC000675401498 1075127179 /nfs/dbraw/zinc/12/71/79/1075127179.db2.gz AQWPSBCEEPYWSR-QZTJIDSGSA-N 1 1 416.522 1.031 20 0 HDADMO Cc1cc(NC(=O)CSCC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)no1 ZINC000580805267 1075132062 /nfs/dbraw/zinc/13/20/62/1075132062.db2.gz PSRFVSGQOJCHPL-UHFFFAOYSA-N 1 1 403.508 2.275 20 0 HDADMO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000766123997 1075133034 /nfs/dbraw/zinc/13/30/34/1075133034.db2.gz ZARUYMXRPIOUMD-OAQYLSRUSA-N 1 1 409.486 1.828 20 0 HDADMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1 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/nfs/dbraw/zinc/16/24/23/1075162423.db2.gz JQNUEFPLEWCJAX-SFHVURJKSA-N 1 1 401.573 1.152 20 0 HDADMO CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001299295686 1075164570 /nfs/dbraw/zinc/16/45/70/1075164570.db2.gz IIHOOXJIPJVWNB-WBVHZDCISA-N 1 1 410.588 1.404 20 0 HDADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497055 1075177369 /nfs/dbraw/zinc/17/73/69/1075177369.db2.gz UPCSWFWEWFEPMM-RBUKOAKNSA-N 1 1 405.587 1.635 20 0 HDADMO C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497055 1075177370 /nfs/dbraw/zinc/17/73/70/1075177370.db2.gz UPCSWFWEWFEPMM-RBUKOAKNSA-N 1 1 405.587 1.635 20 0 HDADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)c1 ZINC000675500485 1075185546 /nfs/dbraw/zinc/18/55/46/1075185546.db2.gz YBNIDLTZGYKCTE-KRWDZBQOSA-N 1 1 402.539 1.662 20 0 HDADMO CC[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675500976 1075185601 /nfs/dbraw/zinc/18/56/01/1075185601.db2.gz RKBJDMNLVYFQPW-VQTJNVASSA-N 1 1 423.579 1.885 20 0 HDADMO CC[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675500976 1075185603 /nfs/dbraw/zinc/18/56/03/1075185603.db2.gz RKBJDMNLVYFQPW-VQTJNVASSA-N 1 1 423.579 1.885 20 0 HDADMO CC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675500500 1075185640 /nfs/dbraw/zinc/18/56/40/1075185640.db2.gz VVRJQDDIDKASDI-GBESFXJTSA-N 1 1 409.552 1.206 20 0 HDADMO CC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675500500 1075185644 /nfs/dbraw/zinc/18/56/44/1075185644.db2.gz VVRJQDDIDKASDI-GBESFXJTSA-N 1 1 409.552 1.206 20 0 HDADMO CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675500949 1075185661 /nfs/dbraw/zinc/18/56/61/1075185661.db2.gz QQIKRRGNGFCERV-ZCNNSNEGSA-N 1 1 423.579 1.596 20 0 HDADMO CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675500949 1075185665 /nfs/dbraw/zinc/18/56/65/1075185665.db2.gz QQIKRRGNGFCERV-ZCNNSNEGSA-N 1 1 423.579 1.596 20 0 HDADMO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCS(=O)(=O)N(C)C)CC3)cc2NC1=O ZINC000509347844 1075193850 /nfs/dbraw/zinc/19/38/50/1075193850.db2.gz FTJUZMHZCSLUDU-CYBMUJFWSA-N 1 1 409.508 1.192 20 0 HDADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1 ZINC000675537269 1075193876 /nfs/dbraw/zinc/19/38/76/1075193876.db2.gz OSOLOCCNPPWKLD-SJLPKXTDSA-N 1 1 414.510 1.503 20 0 HDADMO Cc1cc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000675529251 1075200429 /nfs/dbraw/zinc/20/04/29/1075200429.db2.gz MNVRNLMCGBNWSR-UHFFFAOYSA-N 1 1 414.514 1.215 20 0 HDADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000675529839 1075200712 /nfs/dbraw/zinc/20/07/12/1075200712.db2.gz XEIRXYSLEILJDX-UHFFFAOYSA-N 1 1 409.412 1.737 20 0 HDADMO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc(Cl)c1OCC(N)=O ZINC000032298553 1075203015 /nfs/dbraw/zinc/20/30/15/1075203015.db2.gz OTEKMASYPYUTTF-HNNXBMFYSA-N 1 1 413.902 1.299 20 0 HDADMO COCCn1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000444586809 1075205552 /nfs/dbraw/zinc/20/55/52/1075205552.db2.gz RKMHZWIANJGWTP-YQQQUEKLSA-N 1 1 411.506 1.780 20 0 HDADMO C[C@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[N@H+](C2CCC2)C1 ZINC000429360407 1075209967 /nfs/dbraw/zinc/20/99/67/1075209967.db2.gz ANDTYRUKXGUAAK-PXNSSMCTSA-N 1 1 411.612 1.751 20 0 HDADMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C(C)C ZINC000550417410 1075213757 /nfs/dbraw/zinc/21/37/57/1075213757.db2.gz LGEZXXXSMDJLCF-UHFFFAOYSA-N 1 1 422.327 2.420 20 0 HDADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675584617 1075214577 /nfs/dbraw/zinc/21/45/77/1075214577.db2.gz DPGNCRJWUCPTGT-IRXDYDNUSA-N 1 1 401.467 1.547 20 0 HDADMO Cc1cc(N2CCC(NC(=O)[C@@H](C)NC(=O)COc3ccccc3)CC2)nc(C)[nH+]1 ZINC000509352383 1075216477 /nfs/dbraw/zinc/21/64/77/1075216477.db2.gz YKVHSFYAZOSWOL-MRXNPFEDSA-N 1 1 411.506 1.762 20 0 HDADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@@H+]1CCc2sccc2C1 ZINC000675586582 1075217173 /nfs/dbraw/zinc/21/71/73/1075217173.db2.gz CBJXFXGAXKOCFH-WMLDXEAASA-N 1 1 417.535 1.625 20 0 HDADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[N@H+]1CCc2sccc2C1 ZINC000675586582 1075217179 /nfs/dbraw/zinc/21/71/79/1075217179.db2.gz CBJXFXGAXKOCFH-WMLDXEAASA-N 1 1 417.535 1.625 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000675568281 1075217885 /nfs/dbraw/zinc/21/78/85/1075217885.db2.gz ONZQHQFTXLJKPE-KRWDZBQOSA-N 1 1 417.554 1.833 20 0 HDADMO CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675605462 1075221110 /nfs/dbraw/zinc/22/11/10/1075221110.db2.gz MJBVEDAFZSSLSC-QUCCMNQESA-N 1 1 414.550 1.624 20 0 HDADMO CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675605462 1075221117 /nfs/dbraw/zinc/22/11/17/1075221117.db2.gz MJBVEDAFZSSLSC-QUCCMNQESA-N 1 1 414.550 1.624 20 0 HDADMO 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CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C(=O)OC)nn2)CC1 ZINC000619628005 1075233218 /nfs/dbraw/zinc/23/32/18/1075233218.db2.gz QMLBHPWCNAIISD-UHFFFAOYSA-N 1 1 412.494 1.722 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000675594686 1075233406 /nfs/dbraw/zinc/23/34/06/1075233406.db2.gz BJKYUZORDOVYRC-OXJNMPFZSA-N 1 1 411.506 1.637 20 0 HDADMO C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000675594686 1075233408 /nfs/dbraw/zinc/23/34/08/1075233408.db2.gz BJKYUZORDOVYRC-OXJNMPFZSA-N 1 1 411.506 1.637 20 0 HDADMO O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000675598446 1075235369 /nfs/dbraw/zinc/23/53/69/1075235369.db2.gz UYBLSBRZEDUXFH-QUCCMNQESA-N 1 1 411.506 1.231 20 0 HDADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C[C@@H]1C ZINC000446794882 1075237050 /nfs/dbraw/zinc/23/70/50/1075237050.db2.gz FCHZIDDDAZFGDP-GJZGRUSLSA-N 1 1 402.474 1.985 20 0 HDADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000804220254 1075240129 /nfs/dbraw/zinc/24/01/29/1075240129.db2.gz SCXDKYGIGUBGCY-HRAATJIYSA-N 1 1 412.575 1.986 20 0 HDADMO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000426682285 1075246015 /nfs/dbraw/zinc/24/60/15/1075246015.db2.gz HIGHZXAPUFCVCB-HOCLYGCPSA-N 1 1 403.483 1.884 20 0 HDADMO O=C(NCc1csc(-c2ccco2)n1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675652399 1075247350 /nfs/dbraw/zinc/24/73/50/1075247350.db2.gz KRIXPGXGUNZMFD-HNNXBMFYSA-N 1 1 405.524 1.609 20 0 HDADMO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000509360087 1075250317 /nfs/dbraw/zinc/25/03/17/1075250317.db2.gz UHKNCAQGMBMPCV-UHFFFAOYSA-N 1 1 417.579 1.673 20 0 HDADMO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000675664452 1075251333 /nfs/dbraw/zinc/25/13/33/1075251333.db2.gz MSIVWAWHJBMFLH-RTBURBONSA-N 1 1 409.552 1.152 20 0 HDADMO C[C@@](O)(CNC(=O)Nc1cc(Br)c(F)cc1F)C[NH+]1CCOCC1 ZINC000466694046 1075253270 /nfs/dbraw/zinc/25/32/70/1075253270.db2.gz CXTFOYVVGUXEGD-OAHLLOKOSA-N 1 1 408.243 1.932 20 0 HDADMO COc1cc(OC)cc([C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2nccn2C)c1 ZINC000675738830 1075261673 /nfs/dbraw/zinc/26/16/73/1075261673.db2.gz OLRUGQBFTNREHV-SFHVURJKSA-N 1 1 408.524 1.540 20 0 HDADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)[C@H]1C(C)C ZINC000429377250 1075267812 /nfs/dbraw/zinc/26/78/12/1075267812.db2.gz ISMYYAOXDVYMAW-BJLQDIEVSA-N 1 1 402.491 1.632 20 0 HDADMO Cc1c([C@@H](C)NCC(=O)N2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000675782449 1075270983 /nfs/dbraw/zinc/27/09/83/1075270983.db2.gz RYLAVAXNZROKQM-CYBMUJFWSA-N 1 1 421.343 1.763 20 0 HDADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@@H](CS(C)(=O)=O)C3)CC2)cc1 ZINC000429376550 1075271891 /nfs/dbraw/zinc/27/18/91/1075271891.db2.gz GASPDIAWWHLDJW-HXUWFJFHSA-N 1 1 407.580 1.396 20 0 HDADMO O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2cc[nH+]c(N3CCOCC3)n2)c1 ZINC000572775617 1075272938 /nfs/dbraw/zinc/27/29/38/1075272938.db2.gz TVKDUKROZXKRTN-UHFFFAOYSA-N 1 1 422.489 2.294 20 0 HDADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)c3cnn(C(C)(C)C)c3)n2)c1C ZINC000447701626 1075281033 /nfs/dbraw/zinc/28/10/33/1075281033.db2.gz UDLSXJMFDHYMRO-UHFFFAOYSA-N 1 1 411.466 2.120 20 0 HDADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000466705820 1075284522 /nfs/dbraw/zinc/28/45/22/1075284522.db2.gz PAVHOCBFIXNIMD-LPHOPBHVSA-N 1 1 421.501 1.934 20 0 HDADMO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)Cn2c[nH+]c3c2CCCC3)c1 ZINC000543651111 1075285632 /nfs/dbraw/zinc/28/56/32/1075285632.db2.gz HDPGRMGCTQAITM-UHFFFAOYSA-N 1 1 411.466 1.413 20 0 HDADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000470683746 1075291889 /nfs/dbraw/zinc/29/18/89/1075291889.db2.gz RATPCIVLEVXVHM-AWEZNQCLSA-N 1 1 401.554 1.372 20 0 HDADMO O=c1ccccn1CCNc1cc(NCCn2ccccc2=O)c2ccncc2[nH+]1 ZINC000567934988 1075298394 /nfs/dbraw/zinc/29/83/94/1075298394.db2.gz WUYQKDZPWANLHJ-UHFFFAOYSA-N 1 1 402.458 2.177 20 0 HDADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000466706461 1075299674 /nfs/dbraw/zinc/29/96/74/1075299674.db2.gz WDGGUZRTCMGAHO-QFBILLFUSA-N 1 1 404.474 1.985 20 0 HDADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccn(C(C)C)n3)C2)cc(OC)c1 ZINC000484117139 1075300193 /nfs/dbraw/zinc/30/01/93/1075300193.db2.gz RXEOICMYXCBRGG-INIZCTEOSA-N 1 1 415.494 1.810 20 0 HDADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccn(C(C)C)n3)C2)cc(OC)c1 ZINC000484117139 1075300196 /nfs/dbraw/zinc/30/01/96/1075300196.db2.gz RXEOICMYXCBRGG-INIZCTEOSA-N 1 1 415.494 1.810 20 0 HDADMO Cc1ccc(NCCCNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[nH+]c1 ZINC000503408297 1075303460 /nfs/dbraw/zinc/30/34/60/1075303460.db2.gz RPVZZACUMHPQNB-UHFFFAOYSA-N 1 1 402.499 1.746 20 0 HDADMO Cc1ccc(NCCCNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)nc1 ZINC000548444760 1075304956 /nfs/dbraw/zinc/30/49/56/1075304956.db2.gz KALVQMJZAOQENH-LJQANCHMSA-N 1 1 411.554 2.097 20 0 HDADMO CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1 ZINC000731296789 1075305944 /nfs/dbraw/zinc/30/59/44/1075305944.db2.gz NERSHSVWQYIGKC-IRXDYDNUSA-N 1 1 410.540 1.667 20 0 HDADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000675929527 1075306355 /nfs/dbraw/zinc/30/63/55/1075306355.db2.gz LLFHAEAZYLGFLY-UHFFFAOYSA-N 1 1 401.338 1.658 20 0 HDADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000675929527 1075306359 /nfs/dbraw/zinc/30/63/59/1075306359.db2.gz LLFHAEAZYLGFLY-UHFFFAOYSA-N 1 1 401.338 1.658 20 0 HDADMO COc1ccc2[nH]cc(CCNC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2c1 ZINC000675987802 1075314863 /nfs/dbraw/zinc/31/48/63/1075314863.db2.gz SETAIZVHGBUYCF-FQEVSTJZSA-N 1 1 413.522 1.667 20 0 HDADMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000675990618 1075316045 /nfs/dbraw/zinc/31/60/45/1075316045.db2.gz HISKOAJCZJQCFT-WMLDXEAASA-N 1 1 400.445 1.754 20 0 HDADMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000675990619 1075316157 /nfs/dbraw/zinc/31/61/57/1075316157.db2.gz HISKOAJCZJQCFT-YOEHRIQHSA-N 1 1 400.445 1.754 20 0 HDADMO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000675973854 1075316512 /nfs/dbraw/zinc/31/65/12/1075316512.db2.gz WQHKNAAPQYLYNY-UHFFFAOYSA-N 1 1 420.491 1.288 20 0 HDADMO C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1 ZINC000731357696 1075320091 /nfs/dbraw/zinc/32/00/91/1075320091.db2.gz NPBUJWPGDSCFHU-UHFFFAOYSA-N 1 1 400.932 1.300 20 0 HDADMO C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc(Cc2ccccc2)no1 ZINC000429386490 1075320701 /nfs/dbraw/zinc/32/07/01/1075320701.db2.gz ZJTDSEVMKVXSNN-HNNXBMFYSA-N 1 1 414.510 1.573 20 0 HDADMO CO[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1Cl ZINC000676004185 1075322403 /nfs/dbraw/zinc/32/24/03/1075322403.db2.gz RMAZOKXARBQCKD-QZTJIDSGSA-N 1 1 408.930 1.976 20 0 HDADMO c1cc2c(cn1)nc(NCCN1CCSCC1)cc2NCC[NH+]1CCSCC1 ZINC000573707942 1075322408 /nfs/dbraw/zinc/32/24/08/1075322408.db2.gz NZLONZARWAVFQS-UHFFFAOYSA-N 1 1 418.636 2.551 20 0 HDADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676020107 1075326023 /nfs/dbraw/zinc/32/60/23/1075326023.db2.gz HQXYPYZXWWZXPI-REWPJTCUSA-N 1 1 414.550 1.856 20 0 HDADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCCOc3cccnc3)CC2)oc1C ZINC000804077210 1075332416 /nfs/dbraw/zinc/33/24/16/1075332416.db2.gz JZZFMGKQEPUOLX-UHFFFAOYSA-N 1 1 415.494 1.210 20 0 HDADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C[C@@H]2C)CC1 ZINC000676056034 1075334602 /nfs/dbraw/zinc/33/46/02/1075334602.db2.gz QRNIADCCOGNSIP-WAOWUJCRSA-N 1 1 414.550 1.514 20 0 HDADMO C[N@H+](CCOC(C)(C)C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000676041340 1075338346 /nfs/dbraw/zinc/33/83/46/1075338346.db2.gz GSYPGYKTBQZHDO-IBGZPJMESA-N 1 1 419.522 1.244 20 0 HDADMO C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000676041340 1075338352 /nfs/dbraw/zinc/33/83/52/1075338352.db2.gz GSYPGYKTBQZHDO-IBGZPJMESA-N 1 1 419.522 1.244 20 0 HDADMO Cc1ccn(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000676048841 1075340235 /nfs/dbraw/zinc/34/02/35/1075340235.db2.gz VXOBIFQGHWVLMH-FQEVSTJZSA-N 1 1 412.538 1.386 20 0 HDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC2N=NC(=S)N2C(C)C)CC1=O ZINC000731447279 1075344119 /nfs/dbraw/zinc/34/41/19/1075344119.db2.gz UIDSEAWZWNZTJA-LSDHHAIUSA-N 1 1 408.572 1.139 20 0 HDADMO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000466711843 1075346694 /nfs/dbraw/zinc/34/66/94/1075346694.db2.gz DUHMOYOJQUKMTB-APWZRJJASA-N 1 1 424.501 1.529 20 0 HDADMO COCCc1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n(C)n1 ZINC000676092022 1075353146 /nfs/dbraw/zinc/35/31/46/1075353146.db2.gz SASOQHMMZUEGFC-UHFFFAOYSA-N 1 1 413.522 1.590 20 0 HDADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@H+]1Cc1ccccc1 ZINC000466711159 1075356995 /nfs/dbraw/zinc/35/69/95/1075356995.db2.gz RNFIIVMISOCZNJ-CRAIPNDOSA-N 1 1 405.462 1.380 20 0 HDADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000731470185 1075358478 /nfs/dbraw/zinc/35/84/78/1075358478.db2.gz SJAQJTAXZIDBKL-HNNXBMFYSA-N 1 1 409.533 1.276 20 0 HDADMO CC[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000676089862 1075372136 /nfs/dbraw/zinc/37/21/36/1075372136.db2.gz KAYXNDVBELNYQF-HXUWFJFHSA-N 1 1 412.538 1.336 20 0 HDADMO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cn1 ZINC000676090534 1075374873 /nfs/dbraw/zinc/37/48/73/1075374873.db2.gz XZJPIGAGIGNZEU-MRXNPFEDSA-N 1 1 404.540 1.398 20 0 HDADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804088226 1075379915 /nfs/dbraw/zinc/37/99/15/1075379915.db2.gz BEUHUBOMJNHUNV-AIANPOQGSA-N 1 1 408.543 1.537 20 0 HDADMO C[C@]1(c2cccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c2)NC(=O)NC1=O ZINC000676113914 1075386593 /nfs/dbraw/zinc/38/65/93/1075386593.db2.gz XCSXDVJXSIVSFO-DYESRHJHSA-N 1 1 400.479 1.068 20 0 HDADMO Cc1cc(F)cc2c(O)c(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)cnc12 ZINC000676133872 1075392180 /nfs/dbraw/zinc/39/21/80/1075392180.db2.gz FHEXMACRXXMPDC-KRWDZBQOSA-N 1 1 400.454 1.530 20 0 HDADMO COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)n2)cc1 ZINC000446048029 1075393394 /nfs/dbraw/zinc/39/33/94/1075393394.db2.gz RYISJIPBDYZAQW-SFHVURJKSA-N 1 1 413.522 2.211 20 0 HDADMO COc1ccc(Br)c(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000676134184 1075393412 /nfs/dbraw/zinc/39/34/12/1075393412.db2.gz KJZXRFVVRWGACU-KRWDZBQOSA-N 1 1 424.339 1.941 20 0 HDADMO C[NH+]1CCN([C@H](CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c2cccs2)CC1 ZINC000676136722 1075393808 /nfs/dbraw/zinc/39/38/08/1075393808.db2.gz FONPXDOYCCFXCD-GVDBMIGSSA-N 1 1 405.568 1.489 20 0 HDADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000804094453 1075394191 /nfs/dbraw/zinc/39/41/91/1075394191.db2.gz VQBWMVKDQAJYHH-HZPDHXFCSA-N 1 1 408.543 1.635 20 0 HDADMO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000426937068 1075398126 /nfs/dbraw/zinc/39/81/26/1075398126.db2.gz MMPYPYRUFUQLKG-HKUYNNGSSA-N 1 1 411.506 1.821 20 0 HDADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCOc3ccc(C=O)cc3)cc2)CC1 ZINC000731608594 1075398849 /nfs/dbraw/zinc/39/88/49/1075398849.db2.gz GJIULBUPBXHHJR-UHFFFAOYSA-N 1 1 409.486 1.972 20 0 HDADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncoc2C(C)(C)C)C3)O1 ZINC001006218643 1075402343 /nfs/dbraw/zinc/40/23/43/1075402343.db2.gz JAMKUIKVGCRNLN-DGXTUMSLSA-N 1 1 404.511 1.553 20 0 HDADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncoc2C(C)(C)C)C3)O1 ZINC001006218643 1075402351 /nfs/dbraw/zinc/40/23/51/1075402351.db2.gz JAMKUIKVGCRNLN-DGXTUMSLSA-N 1 1 404.511 1.553 20 0 HDADMO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000426674503 1075403970 /nfs/dbraw/zinc/40/39/70/1075403970.db2.gz KDHFDWXSXOVCJR-IRXDYDNUSA-N 1 1 413.522 2.115 20 0 HDADMO COc1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000676203965 1075425716 /nfs/dbraw/zinc/42/57/16/1075425716.db2.gz RJINONHMUIUOBU-GASCZTMLSA-N 1 1 413.540 1.821 20 0 HDADMO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000676203965 1075425718 /nfs/dbraw/zinc/42/57/18/1075425718.db2.gz RJINONHMUIUOBU-GASCZTMLSA-N 1 1 413.540 1.821 20 0 HDADMO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000556528134 1075426881 /nfs/dbraw/zinc/42/68/81/1075426881.db2.gz ZTCKGPSJHACCOO-YVEFUNNKSA-N 1 1 421.860 2.025 20 0 HDADMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cc(C)[nH+]c1C ZINC000676199000 1075433549 /nfs/dbraw/zinc/43/35/49/1075433549.db2.gz LEENQEDVFCNNEZ-UHFFFAOYSA-N 1 1 408.480 1.168 20 0 HDADMO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)ccc12 ZINC000731655041 1075439515 /nfs/dbraw/zinc/43/95/15/1075439515.db2.gz CPIHMPSOZVXZAK-UHFFFAOYSA-N 1 1 401.463 1.149 20 0 HDADMO C[C@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243051 1075444203 /nfs/dbraw/zinc/44/42/03/1075444203.db2.gz GVVAWQQKJJTSNI-RBBKRZOGSA-N 1 1 417.598 1.603 20 0 HDADMO C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676242548 1075444600 /nfs/dbraw/zinc/44/46/00/1075444600.db2.gz XQJRKRNWWQEXSH-LPHOPBHVSA-N 1 1 424.567 1.380 20 0 HDADMO C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242548 1075444603 /nfs/dbraw/zinc/44/46/03/1075444603.db2.gz XQJRKRNWWQEXSH-LPHOPBHVSA-N 1 1 424.567 1.380 20 0 HDADMO C[C@H](NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CN(C)CCO1 ZINC000676243786 1075445358 /nfs/dbraw/zinc/44/53/58/1075445358.db2.gz XUEYWNNGXSVETF-CEWLAPEOSA-N 1 1 403.571 1.384 20 0 HDADMO C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676248080 1075448433 /nfs/dbraw/zinc/44/84/33/1075448433.db2.gz MEUKJXVHPXQXHE-RVKKMQEKSA-N 1 1 417.510 1.111 20 0 HDADMO C[C@H](NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676248080 1075448437 /nfs/dbraw/zinc/44/84/37/1075448437.db2.gz MEUKJXVHPXQXHE-RVKKMQEKSA-N 1 1 417.510 1.111 20 0 HDADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257098 1075450799 /nfs/dbraw/zinc/45/07/99/1075450799.db2.gz MMCJUHGVDGAFGL-KDOFPFPSSA-N 1 1 423.560 1.676 20 0 HDADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257098 1075450813 /nfs/dbraw/zinc/45/08/13/1075450813.db2.gz MMCJUHGVDGAFGL-KDOFPFPSSA-N 1 1 423.560 1.676 20 0 HDADMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676256741 1075451463 /nfs/dbraw/zinc/45/14/63/1075451463.db2.gz FWHNDTOEMPRCII-PBHICJAKSA-N 1 1 413.515 1.062 20 0 HDADMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676256741 1075451469 /nfs/dbraw/zinc/45/14/69/1075451469.db2.gz FWHNDTOEMPRCII-PBHICJAKSA-N 1 1 413.515 1.062 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676256505 1075452079 /nfs/dbraw/zinc/45/20/79/1075452079.db2.gz ADLXMRXYVCBSDD-UHOSZYNNSA-N 1 1 409.552 1.064 20 0 HDADMO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676256505 1075452084 /nfs/dbraw/zinc/45/20/84/1075452084.db2.gz ADLXMRXYVCBSDD-UHOSZYNNSA-N 1 1 409.552 1.064 20 0 HDADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676258069 1075452183 /nfs/dbraw/zinc/45/21/83/1075452183.db2.gz CUTXYADIWULLIV-CRAIPNDOSA-N 1 1 411.568 1.488 20 0 HDADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676258069 1075452184 /nfs/dbraw/zinc/45/21/84/1075452184.db2.gz CUTXYADIWULLIV-CRAIPNDOSA-N 1 1 411.568 1.488 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676259021 1075454901 /nfs/dbraw/zinc/45/49/01/1075454901.db2.gz ZUSHVQQPCMRBTD-KBXCAEBGSA-N 1 1 413.540 1.175 20 0 HDADMO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676259021 1075454903 /nfs/dbraw/zinc/45/49/03/1075454903.db2.gz ZUSHVQQPCMRBTD-KBXCAEBGSA-N 1 1 413.540 1.175 20 0 HDADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676258647 1075455428 /nfs/dbraw/zinc/45/54/28/1075455428.db2.gz VKRYLMBMWZDLGO-APWZRJJASA-N 1 1 409.552 1.700 20 0 HDADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258647 1075455434 /nfs/dbraw/zinc/45/54/34/1075455434.db2.gz VKRYLMBMWZDLGO-APWZRJJASA-N 1 1 409.552 1.700 20 0 HDADMO C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676260082 1075455990 /nfs/dbraw/zinc/45/59/90/1075455990.db2.gz DHFPMYGSQRYHGS-WMLDXEAASA-N 1 1 416.478 1.746 20 0 HDADMO C[C@H](NC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676260082 1075455994 /nfs/dbraw/zinc/45/59/94/1075455994.db2.gz DHFPMYGSQRYHGS-WMLDXEAASA-N 1 1 416.478 1.746 20 0 HDADMO C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676259214 1075456976 /nfs/dbraw/zinc/45/69/76/1075456976.db2.gz JGGCJLGMGKEJEX-ABAIWWIYSA-N 1 1 424.295 1.271 20 0 HDADMO C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676259214 1075456979 /nfs/dbraw/zinc/45/69/79/1075456979.db2.gz JGGCJLGMGKEJEX-ABAIWWIYSA-N 1 1 424.295 1.271 20 0 HDADMO C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676260643 1075458729 /nfs/dbraw/zinc/45/87/29/1075458729.db2.gz GQJSZKITCLYFNM-SWLSCSKDSA-N 1 1 408.442 1.400 20 0 HDADMO C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676260643 1075458733 /nfs/dbraw/zinc/45/87/33/1075458733.db2.gz GQJSZKITCLYFNM-SWLSCSKDSA-N 1 1 408.442 1.400 20 0 HDADMO C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676260641 1075458863 /nfs/dbraw/zinc/45/88/63/1075458863.db2.gz GQJSZKITCLYFNM-DOMZBBRYSA-N 1 1 408.442 1.400 20 0 HDADMO C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676260641 1075458866 /nfs/dbraw/zinc/45/88/66/1075458866.db2.gz GQJSZKITCLYFNM-DOMZBBRYSA-N 1 1 408.442 1.400 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)s1 ZINC000676260305 1075459361 /nfs/dbraw/zinc/45/93/61/1075459361.db2.gz SYIOBDQDUKVSPK-JYJNAYRXSA-N 1 1 415.581 1.293 20 0 HDADMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)s1 ZINC000676260305 1075459363 /nfs/dbraw/zinc/45/93/63/1075459363.db2.gz SYIOBDQDUKVSPK-JYJNAYRXSA-N 1 1 415.581 1.293 20 0 HDADMO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000466721725 1075459527 /nfs/dbraw/zinc/45/95/27/1075459527.db2.gz GALSPPFMVPOTLK-UHFFFAOYSA-N 1 1 405.886 1.593 20 0 HDADMO C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000676262063 1075459951 /nfs/dbraw/zinc/45/99/51/1075459951.db2.gz VNQXMNJECSOXJS-NHYWBVRUSA-N 1 1 416.291 1.543 20 0 HDADMO C[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262063 1075459960 /nfs/dbraw/zinc/45/99/60/1075459960.db2.gz VNQXMNJECSOXJS-NHYWBVRUSA-N 1 1 416.291 1.543 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676262896 1075461268 /nfs/dbraw/zinc/46/12/68/1075461268.db2.gz OPPPGWHIKVJYMN-MLGOLLRUSA-N 1 1 400.476 1.206 20 0 HDADMO C[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676262896 1075461270 /nfs/dbraw/zinc/46/12/70/1075461270.db2.gz OPPPGWHIKVJYMN-MLGOLLRUSA-N 1 1 400.476 1.206 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676262777 1075461276 /nfs/dbraw/zinc/46/12/76/1075461276.db2.gz LSBFPYMOKLHTKX-ZVZYQTTQSA-N 1 1 411.524 1.480 20 0 HDADMO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262777 1075461279 /nfs/dbraw/zinc/46/12/79/1075461279.db2.gz LSBFPYMOKLHTKX-ZVZYQTTQSA-N 1 1 411.524 1.480 20 0 HDADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676263757 1075462362 /nfs/dbraw/zinc/46/23/62/1075462362.db2.gz CBXHUXAKFMCMGN-CXAGYDPISA-N 1 1 414.528 1.176 20 0 HDADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676263757 1075462366 /nfs/dbraw/zinc/46/23/66/1075462366.db2.gz CBXHUXAKFMCMGN-CXAGYDPISA-N 1 1 414.528 1.176 20 0 HDADMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1 ZINC000676264681 1075463208 /nfs/dbraw/zinc/46/32/08/1075463208.db2.gz XLPRQDFFPUPIKH-YOEHRIQHSA-N 1 1 410.540 1.585 20 0 HDADMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1S(=O)(=O)NC1CC1 ZINC000676264681 1075463212 /nfs/dbraw/zinc/46/32/12/1075463212.db2.gz XLPRQDFFPUPIKH-YOEHRIQHSA-N 1 1 410.540 1.585 20 0 HDADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)[C@H]1C(C)C ZINC000429412227 1075463405 /nfs/dbraw/zinc/46/34/05/1075463405.db2.gz YZJOWFXAWTYTAK-UNMCSNQZSA-N 1 1 417.550 1.859 20 0 HDADMO 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C[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676248707 1075465507 /nfs/dbraw/zinc/46/55/07/1075465507.db2.gz WDHVBMHRMWQULP-QAPCUYQASA-N 1 1 408.930 1.455 20 0 HDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731684063 1075467496 /nfs/dbraw/zinc/46/74/96/1075467496.db2.gz PKVOFTXNHWCKSF-CALCHBBNSA-N 1 1 416.632 1.551 20 0 HDADMO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000731683752 1075467862 /nfs/dbraw/zinc/46/78/62/1075467862.db2.gz GQYFJFOGVSFDGA-HOTGVXAUSA-N 1 1 411.547 1.225 20 0 HDADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683660 1075468240 /nfs/dbraw/zinc/46/82/40/1075468240.db2.gz IJDWWFKDPAPEKQ-XLIONFOSSA-N 1 1 422.595 1.630 20 0 HDADMO C[C@@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676251507 1075468982 /nfs/dbraw/zinc/46/89/82/1075468982.db2.gz NIHFVINEKCNBCN-UKRRQHHQSA-N 1 1 412.332 1.395 20 0 HDADMO 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